Geometry & MOs

Info

ID:	308675
PubChem CID:	126522371
Reduced:	N8H16C23 (1)
Stoich.:	A8B16C23 (1)
Weight, g/mol:	389.150619
ΔH_f, kcal/mol:	227.84
Dipole, Da:	5.64
IP(EA), eV:	-8.72(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC=NC3=N/C(=C/4\C5=CC(=NC=C5NN4)C6=CC(=CN=C6)N)/C=C23

DOS

IR

Vibrations