Geometry & MOs

Info

ID:	58606
PubChem CID:	24712278
Reduced:	O3N4C16H22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	-113.45
Dipole, Da:	7.11
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-(4-methylphenyl)-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)O)N=C1CCNC(=O)NC(C)C

DOS

IR

Vibrations