Geometry & MOs

Info

ID:	210891
PubChem CID:	80868833
Reduced:	BrON6C12H15 (1)
Stoich.:	ABC6D12E15 (1)
Weight, g/mol:	260.138559
ΔH_f, kcal/mol:	37.65
Dipole, Da:	5.66
IP(EA), eV:	-9.04(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC=C(C(=N1)N2C=CC(=N2)C(=O)N(C)C)Br

DOS

IR

Vibrations