Geometry & MOs

Info

ID:	2193
PubChem CID:	6194
Reduced:	Cl2O2N3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	251.022832
ΔH_f, kcal/mol:	-98.17
Dipole, Da:	4.37
IP(EA), eV:	-9.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[bis(2-chloroethyl)amino]-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl

DOS

IR

Vibrations