Geometry & MOs

Info

ID:	415265
PubChem CID:	135088257
Reduced:	ON4C16H24 (1)
Stoich.:	AB4C16D24 (1)
Weight, g/mol:	391.159515
ΔH_f, kcal/mol:	-34.44
Dipole, Da:	4.4
IP(EA), eV:	-8.14(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-[(2,3-difluoro-6-methoxyphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)N2[C@@H]3CC[C@H]2CN(CC3)C)C(=O)N

DOS

IR

Vibrations