Geometry & MOs

Info

ID:	140891
PubChem CID:	52778382
Reduced:	N2O3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-76.35
Dipole, Da:	6.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.128561
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-1-benzylpiperidin-2-yl]methyl]-3-(2-methoxyethoxy)benzamide

Drug info:

PubChemData

Smile

COCCOC1=CC=CC(=C1)C(=O)NC[C@H]2CCCC[NH+]2CC3=CC=CC=C3

DOS

IR

Vibrations