Geometry & MOs

Info

ID:	235455
PubChem CID:	92709697
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	18.18
Dipole, Da:	4.54
IP(EA), eV:	-8.71(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@@H](CC(=O)N2CCCC3=CC=CC=C32)N4C=CC=C4

DOS

IR

Vibrations