Geometry & MOs

Info

ID:	39190
PubChem CID:	8139891
Reduced:	ON4C26H27 (1)
Stoich.:	AB4C26D27 (1)
Weight, g/mol:	410.210661
ΔH_f, kcal/mol:	97.72
Dipole, Da:	2.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023610
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1,3-diphenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations