Geometry & MOs

Info

ID:	394887
PubChem CID:	135024036
Reduced:	OSn2F3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	421.08887
ΔH_f, kcal/mol:	-54.65
Dipole, Da:	4.6
IP(EA), eV:	-7.96(-2.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-bromoethyl)-5,10-dimethoxy-3,4-dihydro-1H-benzo[g]isoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(/C(=C(\C(F)(F)F)/[Sn+])/[Sn+])O

DOS

IR

Vibrations