Geometry & MOs

Info

ID:	54211
PubChem CID:	15047394
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	371.188529
ΔH_f, kcal/mol:	-38.02
Dipole, Da:	1.6
IP(EA), eV:	-9.37(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzyl-3-ethoxy-1-phenyl-1H-isoquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=NC(C2=CC=CC=C2C1(C)CO)C3=CC=CC=C3

DOS

IR

Vibrations