Geometry & MOs

Info

ID:

45295

PubChem CID:

10510798

Reduced:

Br2C195H358 (1)

Stoich.:

A2B195C358 (1)

Weight, g/mol:

96.068748

ΔHf, kcal/mol:

-564.93

Dipole, Da:

3.05

IP(EA), eV:

 -9.37(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-2-isocyano-N-methylprop-1-en-1-amine

Drug info:

PubChemData

Smile

CC/C=C/C(=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCCCBr)/CCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCC/C=C/CCCCCCCCCCCBr

DOS

IR

Vibrations