Geometry & MOs

Info

ID:	260876
PubChem CID:	103207578
Reduced:	NF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	284.133634
ΔH_f, kcal/mol:	-165.65
Dipole, Da:	3.8
IP(EA), eV:	-9.32(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[1-amino-3-(2,2-difluoroethoxy)propyl]-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CNC(CCOCC(F)F)C1=CC2=C(COC2)C=C1

DOS

IR

Vibrations