Geometry & MOs

Info

ID:	58630
PubChem CID:	24712343
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	34.69
Dipole, Da:	4.95
IP(EA), eV:	-9.27(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-5-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1C2=CC=CC=C2)CC)C(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations