Geometry & MOs

Info

ID:	255437
PubChem CID:	103132023
Reduced:	BrN4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	194.035924
ΔH_f, kcal/mol:	94.77
Dipole, Da:	5.6
IP(EA), eV:	-9.56(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-(1-methylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=CC(=NC(=N2)C3CC3)Br

DOS

IR

Vibrations