Geometry & MOs

Info

ID:	243689
PubChem CID:	99234013
Reduced:	F3N3O4C23H30 (1)
Stoich.:	A3B3C4D23E30 (1)
Weight, g/mol:	390.195486
ΔH_f, kcal/mol:	-352.75
Dipole, Da:	8.7
IP(EA), eV:	-9.08(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC[C@H]1CCCN(C1)C(=O)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations