Geometry & MOs

Info

ID:	256423
PubChem CID:	103139171
Reduced:	N3C14H15 (1)
Stoich.:	A3B14C15 (1)
Weight, g/mol:	327.02588
ΔH_f, kcal/mol:	61.02
Dipole, Da:	3.68
IP(EA), eV:	-7.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CCC1NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations