Geometry & MOs

Info

ID:	367645
PubChem CID:	127325169
Reduced:	N2O5C19H26 (1)
Stoich.:	A2B5C19D26 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-189.01
Dipole, Da:	6.54
IP(EA), eV:	-9.25(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-N-(1,4-dioxan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CN1C(C(CCC1=O)C(=O)NCC2COCCO2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations