Geometry & MOs

Info

ID:	308823
PubChem CID:	126522807
Reduced:	ON7H29C32 (1)
Stoich.:	AB7C29D32 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	143.79
Dipole, Da:	7.46
IP(EA), eV:	-8.54(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CC(=O)NC2=CN=CC(=C2)C3=CC\4=C(C=C3)NN/C4=C/5\C=C6C(=CC=NC6=N5)C7=CC=CC=N7

DOS

IR

Vibrations