Geometry & MOs

Info

ID:	22187
PubChem CID:	596212
Reduced:	NCl2O2C18H19 (1)
Stoich.:	AB2C2D18E19 (1)
Weight, g/mol:	351.079284
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	3.98
IP(EA), eV:	-8.27(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)CC3=C(C=C(C=C3)Cl)Cl)OC

DOS

IR

Vibrations