Geometry & MOs

Info

ID:	289357
PubChem CID:	104347118
Reduced:	FON2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	-84.49
Dipole, Da:	3.64
IP(EA), eV:	-9.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-cycloheptyloxy-2-(ethoxymethyl)pyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)OC2=CC(=C(C=C2)F)F)NN

DOS

IR

Vibrations