Geometry & MOs

Info

ID:	210890
PubChem CID:	80868832
Reduced:	ON7C10H13 (1)
Stoich.:	AB7C10D13 (1)
Weight, g/mol:	338.04907
ΔH_f, kcal/mol:	45.37
Dipole, Da:	5.65
IP(EA), eV:	-9.26(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NN(C=C1)C2=NC(=NC(=C2)N)N

DOS

IR

Vibrations