Geometry & MOs

Info

ID:	200754
PubChem CID:	79438854
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	330.009346
ΔH_f, kcal/mol:	-67.66
Dipole, Da:	5.17
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dichloro-5-(2-chlorophenyl)-2-(3-methoxypropyl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(C(=O)N1)C2=CC=CC=C2Cl)O

DOS

IR

Vibrations