Geometry & MOs

Info

ID:	416570
PubChem CID:	135089695
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	4.84
IP(EA), eV:	-9.48(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[[4-ethoxy-3-(hydroxymethyl)phenyl]methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=NC(=NC(=C3)CC(C)C)N

DOS

IR

Vibrations