Geometry & MOs

Info

ID:	256557
PubChem CID:	103139888
Reduced:	BrNOC12H24 (1)
Stoich.:	ABCD12E24 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-78.94
Dipole, Da:	1.41
IP(EA), eV:	-8.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(3,5-dichlorophenoxy)isoquinolin-5-amine

Drug info:

PubChemData

Smile

CCCCN(CCBr)CC1CCC(O1)C

DOS

IR

Vibrations