Geometry & MOs

Info

ID:	228728
PubChem CID:	87565626
Reduced:	FSO3N4C23H27 (1)
Stoich.:	ABC3D4E23F27 (1)
Weight, g/mol:	276.195011
ΔH_f, kcal/mol:	-65.44
Dipole, Da:	4.78
IP(EA), eV:	-9.05(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperazin-1-yl-3-(propan-2-ylamino)-3-pyridin-4-ylpropanal

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(N=C4)CCCC(=O)O)/C3)S

DOS

IR

Vibrations