Geometry & MOs

Info

ID:	54209
PubChem CID:	15047392
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	219.125929
ΔH_f, kcal/mol:	-21.05
Dipole, Da:	0.99
IP(EA), eV:	-9.28(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethoxy-4-methyl-1H-isoquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=NCC2=CC=CC=C2C1C

DOS

IR

Vibrations