Geometry & MOs

Info

ID:	140781
PubChem CID:	52758761
Reduced:	O2N6C23H32 (1)
Stoich.:	A2B6C23D32 (1)
Weight, g/mol:	399.228382
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	4.8
IP(EA), eV:	-8.5(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-N-(3,4-dimethoxyphenyl)-2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)[C@@H](C)N3CCN(CC3)CC(=O)NC4CC4

DOS

IR

Vibrations