Geometry & MOs

Info

ID:	416818
PubChem CID:	135090478
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-29.21
Dipole, Da:	4.67
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(CCC3=CN=C(N=C32)C4=CC=CC=C4)CN(C1)CC5=NC(=CO5)C(=O)O

DOS

IR

Vibrations