Geometry & MOs

Info

ID:	58609
PubChem CID:	24712289
Reduced:	ClON4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	42.26
Dipole, Da:	3.05
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations