Geometry & MOs

Info

ID:	65179
PubChem CID:	29204577
Reduced:	ClN3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	476.125133
ΔH_f, kcal/mol:	-114.67
Dipole, Da:	0.55
IP(EA), eV:	-9.89(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-chlorobenzoyl)-3-(2,5-dimethoxyphenyl)-1-phenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H]1CC(=O)[C@@H]([C@@H]1C[N+](=O)[O-])CC(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations