Geometry & MOs

Info

ID:	256433
PubChem CID:	103139204
Reduced:	ON3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	279.125929
ΔH_f, kcal/mol:	25.41
Dipole, Da:	2.42
IP(EA), eV:	-9.29(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxyphenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1)C(C2=CC=CC3=C2C=NC=C3)O)CC

DOS

IR

Vibrations