Geometry & MOs

Info

ID:	195632
PubChem CID:	78712856
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	333.132471
ΔH_f, kcal/mol:	-66.54
Dipole, Da:	6.93
IP(EA), eV:	-9.43(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)N(CC=C)C1=CC=CC=C1)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations