Geometry & MOs

Info

ID:	138624
PubChem CID:	52395562
Reduced:	O2N4C19H25 (1)
Stoich.:	A2B4C19D25 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136350
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(pyridin-3-ylmethylamino)-N-[(1R)-1-pyridin-3-ylpentyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=C1N=CC=C2)C(=O)[C@@H]3CCC[NH+](C3)CC(=O)N

DOS

IR

Vibrations