Geometry & MOs

Info

ID:	44440
PubChem CID:	10503596
Reduced:	NO7C24H33 (1)
Stoich.:	AB7C24D33 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-293.22
Dipole, Da:	2.54
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3S)-3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenylacetaldehyde

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC(C)C

DOS

IR

Vibrations