Geometry & MOs

Info

ID:	61748
PubChem CID:	26712461
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-126.76
Dipole, Da:	4.62
IP(EA), eV:	-8.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-nitrophenyl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations