Geometry & MOs

Info

ID:	39859
PubChem CID:	8142586
Reduced:	ON4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	376.226312
ΔH_f, kcal/mol:	37.65
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.815262
Charge, e:	0

Chem-info

IUPAC name:

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=C(N(N=C2C)C3=CC=C(C=C3)C)C

DOS

IR

Vibrations