Geometry & MOs

Info

ID:	255570
PubChem CID:	103133060
Reduced:	ON2C13H14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	256.121178
ΔH_f, kcal/mol:	13.56
Dipole, Da:	4.29
IP(EA), eV:	-9.22(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isoquinolin-8-yl-[4-(methylamino)oxolan-3-yl]methanone

Drug info:

PubChemData

Smile

CNCCC(=O)C1=CC=CC2=C1C=NC=C2

DOS

IR

Vibrations