Geometry & MOs

Info

ID:	257055
PubChem CID:	103143396
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-78.77
Dipole, Da:	4.77
IP(EA), eV:	-9.44(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-isoquinolin-8-yl-2-methoxyethanone

Drug info:

PubChemData

Smile

CCOC1(CCOCC1)C(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations