Geometry & MOs

Info

ID:	271378
PubChem CID:	103671654
Reduced:	FNO2C13H20 (1)
Stoich.:	ABC2D13E20 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-128.77
Dipole, Da:	2.78
IP(EA), eV:	-9.12(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-1H-isochromen-1-ylmethylamino)-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(CCOC)(CNCC1=CC=C(C=C1)F)O

DOS

IR

Vibrations