Geometry & MOs

Info

ID:	185942
PubChem CID:	77371513
Reduced:	N5O8C35H45 (1)
Stoich.:	A5B8C35D45 (1)
Weight, g/mol:	433.241707
ΔH_f, kcal/mol:	-330.65
Dipole, Da:	7.2
IP(EA), eV:	-8.69(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)butyl]-3-[hydroxy(phenyl)methyl]-4-phenylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=C1N)C(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)OCC4=CC=CC=C4)N)N=C(OC2=O)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations