Geometry & MOs

Info

ID:	238687
PubChem CID:	92765070
Reduced:	OSN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	6.23
Dipole, Da:	6.33
IP(EA), eV:	-8.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCNC(=O)[C@H]2CCCN(C2)C3=NC4=C(S3)N=CC=C4

DOS

IR

Vibrations