Geometry & MOs

Info

ID:	235509
PubChem CID:	92709868
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	4.41
IP(EA), eV:	-8.54(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-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)N2CCCC2)N3C=CC=C3

DOS

IR

Vibrations