Geometry & MOs

Info

ID:	23781
PubChem CID:	606084
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	5.93
IP(EA), eV:	-9.0(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations