Geometry & MOs

Info

ID:	317512
PubChem CID:	126640159
Reduced:	N4O4C27H38 (1)
Stoich.:	A4B4C27D38 (1)
Weight, g/mol:	504.279964
ΔH_f, kcal/mol:	-122.32
Dipole, Da:	2.63
IP(EA), eV:	-8.92(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-fluoro-4-[4-[(3R)-3-fluoropyrrolidine-1-carbonyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CC=C(C=C3)C4=CC[C@H](CC4)C(=O)NCC(C)O

DOS

IR

Vibrations