Geometry & MOs

Info

ID:	255459
PubChem CID:	103132187
Reduced:	ON6C11H16 (1)
Stoich.:	AB6C11D16 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	44.35
Dipole, Da:	4.24
IP(EA), eV:	-9.22(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-N-methyl-6-(1-methylpyrazol-3-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)C2=NN(C=C2)C)OC

DOS

IR

Vibrations