Geometry & MOs

Info

ID:	391632
PubChem CID:	135007403
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	0.55
Dipole, Da:	3.7
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-5-cyano-5-isocyano-4-phenylcyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CCC(C(C1)C2=CC=C(C=C2)OC)([N+]#[C-])[N+]#[C-]

DOS

IR

Vibrations