Geometry & MOs

Info

ID:	395338
PubChem CID:	135025213
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	265.08678
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	7.35
IP(EA), eV:	-8.62(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-diethoxyphosphorylethenyl)benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(\CC#N)/C(=O)OC)/N2CCCC2

DOS

IR

Vibrations