Geometry & MOs

Info

ID:	201144
PubChem CID:	79495735
Reduced:	NO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	6.2
IP(EA), eV:	-9.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2-diethoxyethanone

Drug info:

PubChemData

Smile

CCOC(C(=O)C1=CC=CC2=C1C=CN=C2)OCC

DOS

IR

Vibrations