Geometry & MOs

Info

ID:	255954
PubChem CID:	103135879
Reduced:	NOC15H31 (1)
Stoich.:	ABC15D31 (1)
Weight, g/mol:	282.092376
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	2.9
IP(EA), eV:	-8.76(2.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

CCCNC(C)C(CC1CCC(O1)C)C(C)C

DOS

IR

Vibrations