Geometry & MOs

Info

ID:	44179
PubChem CID:	10501438
Reduced:	OSN2F3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	325.167794
ΔH_f, kcal/mol:	-149.1
Dipole, Da:	8.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758975
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N

DOS

IR

Vibrations