Geometry & MOs

Info

ID:	348411
PubChem CID:	127273504
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	379.237211
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	0.89
IP(EA), eV:	-8.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperidin-1-yl)pyridin-3-yl]methyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1(CCCC1)CNC(=O)[C@H]2COCC(=O)N2CC3=CC=CC=C3

DOS

IR

Vibrations