Geometry & MOs

Info

ID:	77576
PubChem CID:	49655540
Reduced:	N4O5C15H18 (1)
Stoich.:	A4B5C15D18 (1)
Weight, g/mol:	376.15537
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	6.64
IP(EA), eV:	-9.1(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[[3-(4-chloroindol-1-yl)propanoylamino]methyl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)OCC2=NOC(=N2)C(=O)NCCCO

DOS

IR

Vibrations