Geometry & MOs

Info

ID:	33068
PubChem CID:	7850684
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-116.9
Dipole, Da:	4.24
IP(EA), eV:	-9.07(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)N(C)CC2=CC=CC=C2

DOS

IR

Vibrations