Geometry & MOs

Info

ID:	235628
PubChem CID:	92710230
Reduced:	ClO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	320.152478
ΔH_f, kcal/mol:	-40.08
Dipole, Da:	4.33
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2,3-dihydroindol-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1[C@H](CC2=CC=CC=C21)C(=O)N3CCN(CC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations