Geometry & MOs

Info

ID:	346795
PubChem CID:	127271299
Reduced:	O3N4C20H36 (1)
Stoich.:	A3B4C20D36 (1)
Weight, g/mol:	392.222369
ΔH_f, kcal/mol:	-165.27
Dipole, Da:	3.55
IP(EA), eV:	-8.9(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-fluoroanilino)-2-oxoethyl]-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

DOS

IR

Vibrations