Geometry & MOs

Info

ID:	183084
PubChem CID:	76976788
Reduced:	N2O3C12H14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	289.106256
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	6.33
IP(EA), eV:	-9.5(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-nitrophenyl)prop-2-enoyl]-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

C1CNC(=O)CN(C1)C(=O)C=CC2=CC=CO2

DOS

IR

Vibrations