Geometry & MOs

Info

ID:	439609
PubChem CID:	135229393
Reduced:	NO2H43C70 (1)
Stoich.:	AB2C43D70 (1)
Weight, g/mol:	271.267528
ΔH_f, kcal/mol:	239.6
Dipole, Da:	1.14
IP(EA), eV:	-7.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-dodecan-6-yl-4-fluoropiperidine

Drug info:

Smile

C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)N(C5=CC6=C(C=C5)OC7=CC=CC=C76)C8=CC9=C(C=C8)C1=CC=CC=C1C91C2=C(C3=CC=CC=C3C=C2)OC2=C1C=CC1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations