Geometry & MOs

Info

ID:	257075
PubChem CID:	103143601
Reduced:	SN2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	32.71
Dipole, Da:	1.86
IP(EA), eV:	-8.69(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanamine

Drug info:

PubChemData

Smile

C1CCC(C1)SCC(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations