Geometry & MOs

Info

ID:	177109
PubChem CID:	76135596
Reduced:	ON4C9H13 (1)
Stoich.:	AB4C9D13 (1)
Weight, g/mol:	370.288323
ΔH_f, kcal/mol:	17.21
Dipole, Da:	9.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770048
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-(3-hydroxy-4,4-dimethyloct-1-enyl)-3-(7-hydroxyhept-2-enyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCC1=NC2C(=[N+](C=NC2=O)CC)N1

DOS

IR

Vibrations