Geometry & MOs

Info

ID:	395076
PubChem CID:	135024590
Reduced:	NO2C7H9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	387.162314
ΔH_f, kcal/mol:	10.76
Dipole, Da:	4.61
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-methyl-6-[(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenylamino)methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC1C=CC(=[N+](O)[O-])C=C1

DOS

IR

Vibrations