Geometry & MOs

Info

ID:	26117
PubChem CID:	639002
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-36.98
Dipole, Da:	4.71
IP(EA), eV:	-8.53(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Drug info:

PubChemData

Smile

CCCCCCC1=CC2=C(C3=CC=CC=C3N=C2O1)OC

DOS

IR

Vibrations