Geometry & MOs

Info

ID:	255569
PubChem CID:	103133048
Reduced:	ClNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	214.110613
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	5.09
IP(EA), eV:	-8.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-3-(methylamino)propan-1-one

Drug info:

PubChemData

Smile

CCNC(C)C1=C(C=CC(=C1)Cl)OCC2CCC(O2)C

DOS

IR

Vibrations