Geometry & MOs

Info

ID:	64392
PubChem CID:	29199454
Reduced:	SO3N4C25H34 (1)
Stoich.:	AB3C4D25E34 (1)
Weight, g/mol:	291.137162
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	5.14
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-4-(5-methylpyrazol-1-yl)-N-phenylbenzamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N4CCN(CC4)C

DOS

IR

Vibrations