Geometry & MOs

Info

ID:	66416
PubChem CID:	46504538
Reduced:	N3O6C32H37 (1)
Stoich.:	A3B6C32D37 (1)
Weight, g/mol:	557.252586
ΔH_f, kcal/mol:	-176.64
Dipole, Da:	2.52
IP(EA), eV:	-8.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-ethoxyphenyl)-2-(2-morpholin-4-ylethyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCN4CCOCC4)C(=O)NC5=C(C=C(C=C5)OC)OC

DOS

IR

Vibrations