Geometry & MOs

Info

ID:	287627
PubChem CID:	104249174
Reduced:	IN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	246.032668
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	10.16
IP(EA), eV:	-9.12(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-2-(oxan-2-ylmethyl)pyrimidine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC(=O)C(=C(N2)C3CC3)I

DOS

IR

Vibrations