Geometry & MOs

Info

ID:	158011
PubChem CID:	56459401
Reduced:	O2F3N3H20C21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	485.268985
ΔH_f, kcal/mol:	-169.32
Dipole, Da:	1.38
IP(EA), eV:	-9.69(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[4-(4-fluorophenyl)oxan-4-yl]methylcarbamoyl]pyrrol-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C2=CC3=C(C=C2)N=C(N3)C(F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations