Geometry & MOs

Info

ID:	423523
PubChem CID:	135119670
Reduced:	FO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-66.4
Dipole, Da:	6.45
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-3-hydroxy-1-[(4-methoxy-2-methylphenyl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CN1C=NC=C1CNC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations