Geometry & MOs

Info

ID:	23784
PubChem CID:	606089
Reduced:	NO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	315.147058
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	6.8
IP(EA), eV:	-8.71(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dihydroxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinoline-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CCC2=C(C1)CCN(C2CC3=C(C=C(C=C3)O)O)C=O

DOS

IR

Vibrations