Geometry & MOs

Info

ID:	268754
PubChem CID:	103600797
Reduced:	SN2O4C10H10 (1)
Stoich.:	AB2C4D10E10 (1)
Weight, g/mol:	271.102
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	4.09
IP(EA), eV:	-10.19(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2,2-difluoroethanone

Drug info:

PubChemData

Smile

C1CN(CCC1=O)C(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations