Geometry & MOs

Info

ID:	39354
PubChem CID:	8140456
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	391.249787
ΔH_f, kcal/mol:	-47.47
Dipole, Da:	9.9
IP(EA), eV:	-8.92(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations