Geometry & MOs

Info

ID:	311358
PubChem CID:	126591033
Reduced:	O2F4N4H16C17 (1)
Stoich.:	A2B4C4D16E17 (1)
Weight, g/mol:	376.141005
ΔH_f, kcal/mol:	-209.46
Dipole, Da:	6.64
IP(EA), eV:	-9.07(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-fluoro-3-(3,3,5-trifluoro-5-methyl-6-oxopiperidin-2-yl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1CC(C(N=C1N)C2=C(C=CC(=C2)NC(=O)C3=NC(=CO3)CF)F)(F)F

DOS

IR

Vibrations