Geometry & MOs

Info

ID:	210889
PubChem CID:	80868831
Reduced:	ClN7C9H12 (1)
Stoich.:	AB7C9D12 (1)
Weight, g/mol:	247.118158
ΔH_f, kcal/mol:	89.06
Dipole, Da:	3.81
IP(EA), eV:	-9.2(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-diaminopyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1Cl)C2=NC(=NC(=N2)N)N(C)C

DOS

IR

Vibrations