Geometry & MOs

Info

ID:	235510
PubChem CID:	92709869
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	17.51
Dipole, Da:	5.04
IP(EA), eV:	-8.7(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H](CC(=O)N2CCC3=CC=CC=C3C2)N4C=CC=C4

DOS

IR

Vibrations