Geometry & MOs

Info

ID:	411643
PubChem CID:	135084475
Reduced:	NOSiC13H27 (1)
Stoich.:	ABCD13E27 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	2.78
IP(EA), eV:	-8.01(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(2-isocyano-3-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC=C(/C=C/N(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations