Geometry & MOs

Info

ID:	208571
PubChem CID:	80546539
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	-134.92
Dipole, Da:	3.1
IP(EA), eV:	-8.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)but-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CNC1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations