Geometry & MOs

Info

ID:	38302
PubChem CID:	8029670
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	340.069536
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	2.46
IP(EA), eV:	-8.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-nitrophenyl)-2-oxoethyl]-1,4-benzoxazepine-3,5-dione

Drug info:

PubChemData

Smile

CC(C)NC1=C(C2=C(C(=C1)NCCOC)C(=O)C3=CC=CC=C3C2=O)N

DOS

IR

Vibrations