Geometry & MOs

Info

ID:	256114
PubChem CID:	103137166
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	296.108026
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	2.79
IP(EA), eV:	-8.31(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)-isoquinolin-8-ylmethyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC=CC=C2N

DOS

IR

Vibrations