Geometry & MOs

Info

ID:	323893
PubChem CID:	126676466
Reduced:	F2O3N6H26C27 (1)
Stoich.:	A2B3C6D26E27 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	5.15
IP(EA), eV:	-9.04(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[3-(hydroxymethyl)phenoxy]phenyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)N(C=N)N

DOS

IR

Vibrations