Geometry & MOs

Info

ID:	60008
PubChem CID:	26664290
Reduced:	ClN4O5C24H25 (1)
Stoich.:	AB4C5D24E25 (1)
Weight, g/mol:	461.04874
ΔH_f, kcal/mol:	-97.49
Dipole, Da:	3.99
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N'-(1,3-diphenylpyrazole-4-carbonyl)pyridine-3-carbohydrazide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations