Geometry & MOs

Info

ID:	6555
PubChem CID:	68871
Reduced:	NOCl2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	321.06872
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	4.39
IP(EA), eV:	-8.79(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dichlorophenyl)-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CN1CC(C2=C(C1)C=C(C=C2)OC)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations