Geometry & MOs

Info

ID:	173306
PubChem CID:	75621738
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	360.077993
ΔH_f, kcal/mol:	-39.96
Dipole, Da:	4.72
IP(EA), eV:	-8.95(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CON=C(COC2=CC=CC=C2)N

DOS

IR

Vibrations