Geometry & MOs

Info

ID:	255713
PubChem CID:	103134212
Reduced:	ON3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	281.060742
ΔH_f, kcal/mol:	-37.29
Dipole, Da:	3.83
IP(EA), eV:	-8.66(1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C#N)N1CCN(CC1)CC2CCC(O2)C

DOS

IR

Vibrations