Geometry & MOs

Info

ID:	52183
PubChem CID:	12014983
Reduced:	OC14H27 (2)
Stoich.:	AB14C27 (2)
Weight, g/mol:	235.099714
ΔH_f, kcal/mol:	-212.98
Dipole, Da:	2.13
IP(EA), eV:	-10.65(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(isoquinolin-1-ylmethyl)phenol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCC1CCCCCCCCCCC(=O)O1

DOS

IR

Vibrations