Geometry & MOs

Info

ID:	257054
PubChem CID:	103143389
Reduced:	NO2C15H17 (1)
Stoich.:	AB2C15D17 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-40.25
Dipole, Da:	4.06
IP(EA), eV:	-9.36(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxyoxan-4-yl)-isoquinolin-8-ylmethanone

Drug info:

PubChemData

Smile

CCC(C)(C(=O)C1=CC=CC2=C1C=NC=C2)OC

DOS

IR

Vibrations