Geometry & MOs

Info

ID:	255590
PubChem CID:	103133221
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-125.77
Dipole, Da:	2.11
IP(EA), eV:	-8.46(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminocyclohexyl)-1-isoquinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2)C)CNCCOC

DOS

IR

Vibrations