Geometry & MOs

Info

ID:	256417
PubChem CID:	103139118
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	303.021769
ΔH_f, kcal/mol:	1.36
Dipole, Da:	2.71
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

COC1=C(C=CN=C1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations