Geometry & MOs

Info

ID:	51226
PubChem CID:	12013866
Reduced:	N2O4H12C19 (1)
Stoich.:	A2B4C12D19 (1)
Weight, g/mol:	302.105528
ΔH_f, kcal/mol:	-21.23
Dipole, Da:	3.06
IP(EA), eV:	-9.19(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-7-oxobenzo[a]phenalen-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C2C3=CC=CC=C3C(=O)C4=CC=CC1=C42)[N+](=O)[O-]

DOS

IR

Vibrations