Geometry & MOs

Info

ID:	14951
PubChem CID:	425074
Reduced:	NOF3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	361.165349
ΔH_f, kcal/mol:	-149.87
Dipole, Da:	4.91
IP(EA), eV:	-9.21(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-phenylcyclopropyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C3CC3C4=CC=CC=C4

DOS

IR

Vibrations