Geometry & MOs

Info

ID:	70842
PubChem CID:	48413940
Reduced:	SN4O4C19H26 (1)
Stoich.:	AB4C4D19E26 (1)
Weight, g/mol:	391.119988
ΔH_f, kcal/mol:	-117.11
Dipole, Da:	2.61
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations