Geometry & MOs

Info

ID:	179031
PubChem CID:	76423858
Reduced:	O3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	6.34
IP(EA), eV:	-9.09(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(cyclopropylcarbamoyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2CNC(=O)CN2)C3=CC(=NC=N3)N4CCOCC4

DOS

IR

Vibrations