Geometry & MOs

Info

ID:	64305
PubChem CID:	29199020
Reduced:	ClN4O8H17C18 (1)
Stoich.:	AB4C8D17E18 (1)
Weight, g/mol:	468.190989
ΔH_f, kcal/mol:	-152.96
Dipole, Da:	6.48
IP(EA), eV:	-9.68(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-2-methyl-N'-[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]benzimidazole-5-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

DOS

IR

Vibrations