Geometry & MOs

Info

ID:	421055
PubChem CID:	135115295
Reduced:	N6O6C37H46 (1)
Stoich.:	A6B6C37D46 (1)
Weight, g/mol:	307.119988
ΔH_f, kcal/mol:	-136.44
Dipole, Da:	3.65
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chloropyrazol-1-yl)propylamino]-5,6-dimethylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@@H](C(=O)NCCCCN(CC2=CC=C(C=C2)C(=O)N1)C(=O)C3=CC=NC=C3)C)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations