Geometry & MOs

Info

ID:	24389
PubChem CID:	609837
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	343.141973
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	6.05
IP(EA), eV:	-8.59(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2C=O)OC)O)O

DOS

IR

Vibrations