Geometry & MOs

Info

ID:	160187
PubChem CID:	57304954
Reduced:	N2F3O3H13C16 (1)
Stoich.:	A2B3C3D13E16 (1)
Weight, g/mol:	334.204513
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	2.77
IP(EA), eV:	-9.58(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-aminophenyl)but-2-ynyl]-4-benzylpiperidin-4-ol

Drug info:

PubChemData

Smile

C=C(C1=CC(=CC=C1)C(F)(F)F)NOCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations