Geometry & MOs

Info

ID:	13673
PubChem CID:	396839
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	362.126657
ΔH_f, kcal/mol:	-16.43
Dipole, Da:	9.85
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-6-(4-nitrophenyl)imino-3,4-dihydrobenzo[h]chromen-5-one

Drug info:

PubChemData

Smile

CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)[N+](=O)[O-])C2=O)C

DOS

IR

Vibrations