Geometry & MOs

Info

ID:

439603

PubChem CID:

135229381

Reduced:

NOC9H12 (1)

Stoich.:

ABC9D12 (1)

Weight, g/mol:

151.1361

ΔHf, kcal/mol:

25.94

Dipole, Da:

4.12

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.042518

Charge, e:

 0

Chem-info

IUPAC name:

(1Z,5Z)-5-methyl-3-methylideneocta-1,5-dien-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=[N+](C=C1)O)C2CC2

DOS

IR

Vibrations