Geometry & MOs

Info

ID:	24412
PubChem CID:	609992
Reduced:	NF2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	319.138385
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	3.71
IP(EA), eV:	-8.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)F)F)OC

DOS

IR

Vibrations