Geometry & MOs

Info

ID:	65174
PubChem CID:	29204571
Reduced:	ClN2O2S2C15H19 (1)
Stoich.:	AB2C2D2E15F19 (1)
Weight, g/mol:	382.119654
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	3.29
IP(EA), eV:	-8.36(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N'-(4-chlorobenzoyl)-3,5-dimethylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CSS[C@H]1CCCCC(=O)NNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations