Geometry & MOs

Info

ID:	139889
PubChem CID:	52613125
Reduced:	ON6H22C26 (1)
Stoich.:	AB6C22D26 (1)
Weight, g/mol:	464.196074
ΔH_f, kcal/mol:	125.56
Dipole, Da:	4.1
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)C(=O)NCC4=NN=CN4C5=CC=CC=C5

DOS

IR

Vibrations