Geometry & MOs

Info

ID:	3451
PubChem CID:	9671
Reduced:	FNOC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	252.176368
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	1.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750707
Charge, e:	1

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-3-hydroxyhex-5-enyl]-trimethylazanium

Drug info:

PubChemData

Smile

C[N+](C)(C)CCC(CC=C)(C1=CC=C(C=C1)F)O

DOS

IR

Vibrations