Geometry & MOs

Info

ID:	167076
PubChem CID:	74777179
Reduced:	F2N2O2C22H25 (1)
Stoich.:	A2B2C2D22E25 (1)
Weight, g/mol:	403.223297
ΔH_f, kcal/mol:	-119.61
Dipole, Da:	3.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758470
Charge, e:	1

Chem-info

IUPAC name:

N-[[1-[[5-(methoxymethyl)furan-2-yl]methyl]piperidin-1-ium-3-yl]methyl]-2-(2-methoxyphenoxy)acetamide

Drug info:

PubChemData

Smile

C1CC(C(=O)N(C1)CC2=C(C(=CC=C2)F)F)(C[NH+]3CCC4=CC=CC=C4C3)O

DOS

IR

Vibrations