Geometry & MOs

Info

ID:	64937
PubChem CID:	29204223
Reduced:	ON2H7C8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-1.48
Dipole, Da:	3.15
IP(EA), eV:	-9.45(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=O)N2CC(=O)NCC3=CN=CC=C3

DOS

IR

Vibrations