Geometry & MOs

Info

ID:	89464
PubChem CID:	49961933
Reduced:	O3N4C12H12 (1)
Stoich.:	A3B4C12D12 (1)
Weight, g/mol:	327.041069
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	7.3
IP(EA), eV:	-9.28(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-[(4-chloro-3-nitrophenyl)hydrazinylidene]naphthalen-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NN=C2C(=O)NC(=O)NC2=O)C

DOS

IR

Vibrations