Geometry & MOs

Info

ID:	256404
PubChem CID:	103139026
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	318.96665
ΔH_f, kcal/mol:	-53.45
Dipole, Da:	4.3
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-3-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CC1CC(CO1)C(C2=CC=CC3=C2C=NC=C3)O

DOS

IR

Vibrations