Geometry & MOs

Info

ID:	256419
PubChem CID:	103139133
Reduced:	Cl2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	331.0008
ΔH_f, kcal/mol:	49.17
Dipole, Da:	4.22
IP(EA), eV:	-8.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NC2=C3C=NC=CC3=C(C=C2)N)Cl

DOS

IR

Vibrations