Geometry & MOs

Info

ID:	410915
PubChem CID:	135083716
Reduced:	NO3H11C13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	189.115364
ΔH_f, kcal/mol:	9.03
Dipole, Da:	7.84
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[1-(but-3-enylamino)ethylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CO/C=C/[N+](=O)[O-]

DOS

IR

Vibrations