Geometry & MOs

Info

ID:	422648
PubChem CID:	135118188
Reduced:	N3O4C16H25 (1)
Stoich.:	A3B4C16D25 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-173.33
Dipole, Da:	4.55
IP(EA), eV:	-9.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[2-(tert-butylamino)-2-oxoethyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=CN1CC(=O)N2CCC3(CC2)C[C@]([C@H](CO3)O)(C)O

DOS

IR

Vibrations