Geometry & MOs

Info

ID:	255434
PubChem CID:	103132007
Reduced:	BrN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	261.052971
ΔH_f, kcal/mol:	18.31
Dipole, Da:	2.74
IP(EA), eV:	-9.18(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-imidazol-1-yl-6-(1-methylpyrazol-3-yl)-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1(CCC(C1)Br)C2=NN(C=C2)C

DOS

IR

Vibrations