Geometry & MOs

Info

ID:	182151
PubChem CID:	76853632
Reduced:	NO6H37C42 (1)
Stoich.:	AB6C37D42 (1)
Weight, g/mol:	330.045732
ΔH_f, kcal/mol:	-127.89
Dipole, Da:	8.28
IP(EA), eV:	-8.98(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-2,3-dihydroindol-3-amine;dihydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C(CC1=CC=C(C=C1)OCC2=CC(=O)OC3=C2C=CC(=C3CC4=CC=CC=C4)CC5=CC=CC=C5)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations