Geometry & MOs

Info

ID:	158981
PubChem CID:	57244343
Reduced:	SN3O4C32H35 (1)
Stoich.:	AB3C4D32E35 (1)
Weight, g/mol:	292.132411
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	2.35
IP(EA), eV:	-8.88(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-3-(3-methylphenyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=C(C=C3)N(CC4=CC=CC=C4)S(=O)(=O)C)C#N)O

DOS

IR

Vibrations