Geometry & MOs

Info

ID:	25336
PubChem CID:	623258
Reduced:	OCl3H9C13 (1)
Stoich.:	AB3C9D13 (1)
Weight, g/mol:	307.925559
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	1.94
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-phenyl-6-(trichloromethyl)pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2=CC=C(C=C2)Cl)Cl

DOS

IR

Vibrations