Geometry & MOs

Info

ID:	7563
PubChem CID:	73397
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	357.194008
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	3.25
IP(EA), eV:	-7.86(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2[C@@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC

DOS

IR

Vibrations