Geometry & MOs

Info

ID:	58925
PubChem CID:	24717848
Reduced:	ClN2O3C24H31 (1)
Stoich.:	AB2C3D24E31 (1)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	-97.1
Dipole, Da:	4.78
IP(EA), eV:	-8.09(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-methyl-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN1CCC2=CC(=C(C=C2C1C(C(C)C)NC(=O)C3=CC=CC=C3Cl)OC)OC

DOS

IR

Vibrations