Geometry & MOs

Info

ID:	210887
PubChem CID:	80868829
Reduced:	ClN5C9H10 (1)
Stoich.:	AB5C9D10 (1)
Weight, g/mol:	300.97299
ΔH_f, kcal/mol:	72.23
Dipole, Da:	3.94
IP(EA), eV:	-9.2(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(4-chloro-3-methylpyrazol-1-yl)-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=NC=NC(=C2)NC

DOS

IR

Vibrations