Geometry & MOs

Info

ID:	58199
PubChem CID:	24434765
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	404.080681
ΔH_f, kcal/mol:	45.41
Dipole, Da:	6.0
IP(EA), eV:	-8.65(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1E)-1-(3,5-dichloro-6-oxocyclohexa-2,4-dien-1-ylidene)propyl]-2-(2-methylbenzimidazol-1-yl)acetohydrazide

Drug info:

PubChemData

Smile

CC1=C(C2=NC(=O)C(=C2C=C1)NNC(=O)CN3C(=NC4=CC=CC=C43)C)C

DOS

IR

Vibrations