Geometry & MOs

Info

ID:	65175
PubChem CID:	29204572
Reduced:	ClO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	431.114903
ΔH_f, kcal/mol:	2.73
Dipole, Da:	4.52
IP(EA), eV:	-9.29(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N'-(4-chlorobenzoyl)-3-pyridin-3-ylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations