Geometry & MOs

Info

ID:	131296
PubChem CID:	51187619
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	361.215413
ΔH_f, kcal/mol:	-40.28
Dipole, Da:	9.33
IP(EA), eV:	-8.82(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C(=O)C3=CC=CC=C3S(=O)(=O)C

DOS

IR

Vibrations