Geometry & MOs

Info

ID:	58617
PubChem CID:	24712304
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-52.84
Dipole, Da:	2.46
IP(EA), eV:	-9.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-propan-2-yl-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC3CCCO3

DOS

IR

Vibrations