Geometry & MOs

Info

ID:	37216
PubChem CID:	8018351
Reduced:	FNO7H14C17 (1)
Stoich.:	ABC7D14E17 (1)
Weight, g/mol:	363.121906
ΔH_f, kcal/mol:	-201.72
Dipole, Da:	1.47
IP(EA), eV:	-9.4(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCOC2=CC=CC=C2F

DOS

IR

Vibrations