Geometry & MOs

Info

ID:	10000
PubChem CID:	96075
Reduced:	Cl2N3H5C6 (1)
Stoich.:	A2B3C5D6 (1)
Weight, g/mol:	188.986053
ΔH_f, kcal/mol:	69.97
Dipole, Da:	2.17
IP(EA), eV:	-10.41(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aziridin-1-yl)-4,6-dichloropyrimidine

Drug info:

PubChemData

Smile

C1CN1C2=NC(=CC(=N2)Cl)Cl

DOS

IR

Vibrations