Geometry & MOs

Info

ID:	448685
PubChem CID:	135292802
Reduced:	F2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	521.272608
ΔH_f, kcal/mol:	-79.3
Dipole, Da:	3.25
IP(EA), eV:	-9.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-[1-[6-imino-1-(2,2,2-trifluoroethanimidoyl)-4,5-dihydropyridazin-3-yl]piperidin-4-yl]phenoxy]ethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1CC1(CC)C2=CC(=C(C=C2)F)F

DOS

IR

Vibrations