Geometry & MOs

Info

ID:	210814
PubChem CID:	80857457
Reduced:	Br2N5C10H11 (1)
Stoich.:	A2B5C10D11 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	68.59
Dipole, Da:	3.54
IP(EA), eV:	-8.66(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=NC(=NC=C2Br)NC)C)Br

DOS

IR

Vibrations