Geometry & MOs

Info

ID:	257033
PubChem CID:	103143167
Reduced:	NSO3C9H19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	282.209599
ΔH_f, kcal/mol:	-158.56
Dipole, Da:	6.54
IP(EA), eV:	-9.56(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-5-methyl-2-propan-2-ylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)(=O)CC(C)N

DOS

IR

Vibrations