Geometry & MOs

Info

ID:	439631
PubChem CID:	135229417
Reduced:	NOH33C48 (1)
Stoich.:	ABC33D48 (1)
Weight, g/mol:	190.153307
ΔH_f, kcal/mol:	144.02
Dipole, Da:	1.22
IP(EA), eV:	-7.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,8-difluoro-2,4-dimethylcyclononane

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)C6(C7=C(C8=CC=CC=C8C=C7)OC9=C6C=CC1=CC=CC=C19)C1=CC=CC=C15)C

DOS

IR

Vibrations