Geometry & MOs

Info

ID:	5958
PubChem CID:	14186
Reduced:	FNOC20H29 (1)
Stoich.:	ABCD20E29 (1)
Weight, g/mol:	318.223318
ΔH_f, kcal/mol:	-66.47
Dipole, Da:	16.15
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.065514
Charge, e:	1

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-(8-methyl-8-azoniaspiro[4.5]decan-8-yl)butan-1-one

Drug info:

PubChemData

Smile

C[N+]1(CCC2(CCCC2)CC1)CCCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations