Geometry & MOs

Info

ID:	422990
PubChem CID:	135118737
Reduced:	ON2C12H12 (2)
Stoich.:	AB2C12D12 (2)
Weight, g/mol:	345.194008
ΔH_f, kcal/mol:	-1.7
Dipole, Da:	8.01
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[3-(1-methylcyclopropyl)propanoyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3C[C@H]([C@@H](C3)O)CC4=NC5=CC=CC=C5C=C4

DOS

IR

Vibrations