Geometry & MOs

Info

ID:	387817
PubChem CID:	134987033
Reduced:	ON3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	271.967481
ΔH_f, kcal/mol:	48.88
Dipole, Da:	4.24
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2,5,6-trichloropyrimidine

Drug info:

PubChemData

Smile

CCC1N=NC(=C(N1O)C)C2=CC=CC=C2

DOS

IR

Vibrations