Geometry & MOs

Info

ID:	144714
PubChem CID:	53402346
Reduced:	ClN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	265.95133
ΔH_f, kcal/mol:	0.37
Dipole, Da:	2.73
IP(EA), eV:	-9.05(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-bromophenyl)-1H-pyrimidine-2-thione

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)C(C)(C)C)Cl)NN

DOS

IR

Vibrations