Geometry & MOs

Info

ID:	309167
PubChem CID:	126539354
Reduced:	F2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	308.237625
ΔH_f, kcal/mol:	-183.59
Dipole, Da:	5.5
IP(EA), eV:	-9.57(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[2-methyl-2-[4-(2-methylpropyl)piperazin-1-yl]propyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)C4=CC(=C(C=C4)F)F)F

DOS

IR

Vibrations