Geometry & MOs

Info

ID:	33020
PubChem CID:	7850362
Reduced:	N2O2C8H13 (2)
Stoich.:	A2B2C8D13 (2)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-208.72
Dipole, Da:	5.31
IP(EA), eV:	-9.93(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-cyanoethyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-2-oxoethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)NC(=O)CN1C(=O)C2(CCCCC2)N(C1=O)C

DOS

IR

Vibrations