Geometry & MOs

Info

ID:	132033
PubChem CID:	51296278
Reduced:	SN3O3C12H15 (1)
Stoich.:	AB3C3D12E15 (1)
Weight, g/mol:	334.116486
ΔH_f, kcal/mol:	-97.02
Dipole, Da:	5.51
IP(EA), eV:	-9.27(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2-methylmorpholin-4-yl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)C2=CN=C3N(C2=O)CCS3

DOS

IR

Vibrations