Geometry & MOs

Info

ID:	187752
PubChem CID:	77619039
Reduced:	F2N4O4C33H40 (1)
Stoich.:	A2B4C4D33E40 (1)
Weight, g/mol:	296.246378
ΔH_f, kcal/mol:	-237.48
Dipole, Da:	7.93
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[3-(4-methylpiperidin-1-yl)cyclopentyl]carbamate

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C1=CC(=CC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNC(C3=CC=CC=C3)C(=O)N)O)C

DOS

IR

Vibrations