Geometry & MOs

Info

ID:	199716
PubChem CID:	79286800
Reduced:	FNCl2O2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-75.14
Dipole, Da:	5.34
IP(EA), eV:	-9.8(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(prop-2-ynylamino)ethanone

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1Cl)Cl)F)N(CC#C)CC(=O)O

DOS

IR

Vibrations