Geometry & MOs

Info

ID:	300086
PubChem CID:	119526718
Reduced:	ClON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	377.221561
ΔH_f, kcal/mol:	9.35
Dipole, Da:	2.08
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)C2=C(N(N=C2)C3=CC=CC=C3)C4CC4)N.Cl

DOS

IR

Vibrations