Geometry & MOs

Info

ID:	58608
PubChem CID:	24712288
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	326.093439
ΔH_f, kcal/mol:	33.8
Dipole, Da:	4.67
IP(EA), eV:	-9.47(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations