Geometry & MOs

Info

ID:	256475
PubChem CID:	103139475
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	327.02588
ΔH_f, kcal/mol:	-78.6
Dipole, Da:	3.08
IP(EA), eV:	-9.5(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCC(C1=CN(N=C1)CC2CCC(O2)C)O

DOS

IR

Vibrations