Geometry & MOs

Info

ID:	289152
PubChem CID:	104337616
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	9.03
Dipole, Da:	3.97
IP(EA), eV:	-9.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(1-ethylpyrazol-4-yl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)N)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations