Geometry & MOs

Info

ID:	416593
PubChem CID:	135089793
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-51.14
Dipole, Da:	3.77
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4-chloro-1H-indole-2-carbonyl)-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=C(C=NC=C2)O)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations