Geometry & MOs

Info

ID:	419140
PubChem CID:	135107588
Reduced:	ClN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-85.28
Dipole, Da:	6.82
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-(1-methylindole-3-carbonyl)piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CC(=CN=C3)Cl)O

DOS

IR

Vibrations