Geometry & MOs

Info

ID:	64339
PubChem CID:	29199189
Reduced:	SO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	339.11384
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	6.57
IP(EA), eV:	-7.9(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-3,5-dimethyl-N-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C)C

DOS

IR

Vibrations