Geometry & MOs

Info

ID:	78424
PubChem CID:	49689581
Reduced:	F3N3O3C19H20 (1)
Stoich.:	A3B3C3D19E20 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-214.57
Dipole, Da:	5.28
IP(EA), eV:	-9.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-4-oxochromene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations