Geometry & MOs

Info

ID:	42378
PubChem CID:	8149491
Reduced:	FON3C20H24 (1)
Stoich.:	ABC3D20E24 (1)
Weight, g/mol:	368.173391
ΔH_f, kcal/mol:	-55.31
Dipole, Da:	1.95
IP(EA), eV:	-7.98(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(1-benzylpiperidin-1-ium-4-yl)-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1F)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations