Geometry & MOs

Info

ID:	256439
PubChem CID:	103139228
Reduced:	NOC13H13 (1)
Stoich.:	ABC13D13 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	17.98
Dipole, Da:	1.99
IP(EA), eV:	-9.17(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

C1CC1C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations