Geometry & MOs

Info

ID:	33037
PubChem CID:	7850442
Reduced:	O4N5C17H23 (1)
Stoich.:	A4B5C17D23 (1)
Weight, g/mol:	383.136887
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	3.95
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)CN2N=C(N=N2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations