Geometry & MOs

Info

ID:	70184
PubChem CID:	47211573
Reduced:	OCl2N5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	252.12224
ΔH_f, kcal/mol:	22.51
Dipole, Da:	3.5
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-4-[2-(pyrimidin-2-ylamino)ethylamino]butanoate

Drug info:

PubChemData

Smile

C1=CN=C(N=C1)NCCNC(=O)C2=C(C=CC(=N2)Cl)Cl

DOS

IR

Vibrations