Geometry & MOs

Info

ID:	256118
PubChem CID:	103137177
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-62.88
Dipole, Da:	5.04
IP(EA), eV:	-8.18(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[isoquinolin-8-yl(oxan-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CS(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations