Geometry & MOs

Info

ID:	418370
PubChem CID:	135104389
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	391.159515
ΔH_f, kcal/mol:	-79.19
Dipole, Da:	3.72
IP(EA), eV:	-8.75(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(CC2)NC3=C(C=CC=N3)C(=O)N4CCCC4

DOS

IR

Vibrations