Geometry & MOs

Info

ID:	131297
PubChem CID:	51187620
Reduced:	ON3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	386.185509
ΔH_f, kcal/mol:	21.4
Dipole, Da:	5.49
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations