Geometry & MOs

Info

ID:	368110
PubChem CID:	127327487
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-22.46
Dipole, Da:	5.07
IP(EA), eV:	-8.08(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1CCC(C1=O)N2CCCC3=CC=CC=C32

DOS

IR

Vibrations