Geometry & MOs

Info

ID:	28095
PubChem CID:	825493
Reduced:	NCl2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	-114.9
Dipole, Da:	3.53
IP(EA), eV:	-9.39(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(E)-4-(furan-2-yl)but-3-en-2-ylidene]amino]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)CN1C2=CC=CC=C2C(C1=O)(Cl)Cl

DOS

IR

Vibrations