Geometry & MOs

Info

ID:	131295
PubChem CID:	51187618
Reduced:	ON7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	122.04
Dipole, Da:	10.14
IP(EA), eV:	-9.06(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=CC=C3N4C=NN=N4

DOS

IR

Vibrations