Geometry & MOs

Info

ID:	1367
PubChem CID:	4249
Reduced:	FNO2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	355.194757
ΔH_f, kcal/mol:	-108.43
Dipole, Da:	3.52
IP(EA), eV:	-8.95(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)O

DOS

IR

Vibrations