Geometry & MOs

Info

ID:	58607
PubChem CID:	24712281
Reduced:	ON4C19H20 (1)
Stoich.:	AB4C19D20 (1)
Weight, g/mol:	340.109089
ΔH_f, kcal/mol:	32.12
Dipole, Da:	1.56
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=N3)C

DOS

IR

Vibrations