Geometry & MOs

Info

ID:	70218
PubChem CID:	47211733
Reduced:	Cl2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	319.049047
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	4.07
IP(EA), eV:	-8.76(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[(3,5-dichloropyridin-2-yl)amino]ethylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NCCNC2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations