Geometry & MOs

Info

ID:	308673
PubChem CID:	126522369
Reduced:	ClN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	7.8
Dipole, Da:	3.1
IP(EA), eV:	-8.57(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(1S,3R)-3-(5-chloro-1H-indol-3-yl)cyclohexyl]carbamoyl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CC(C1)N)C2=CNC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations