Geometry & MOs

Info

ID:	238698
PubChem CID:	92765091
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	482.268176
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	2.01
IP(EA), eV:	-8.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-benzoyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC(=O)[C@@H]2CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations