Geometry & MOs

Info

ID:	54797
PubChem CID:	17389294
Reduced:	ClO4N6H13C16 (1)
Stoich.:	AB4C6D13E16 (1)
Weight, g/mol:	410.078183
ΔH_f, kcal/mol:	45.13
Dipole, Da:	5.16
IP(EA), eV:	-9.02(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(Z)-(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-cyclopropylquinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CCC(=O)NN/C=C\3/C=C(C=C(C3=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations