Geometry & MOs

Info

ID:	203026
PubChem CID:	79763246
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	298.0965
ΔH_f, kcal/mol:	-129.62
Dipole, Da:	4.68
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(4-fluoro-2-nitrophenyl)morpholin-2-yl]acetate

Drug info:

PubChemData

Smile

CC1C(CCO1)C(C2=C(C=C(C=C2)OC)Cl)O

DOS

IR

Vibrations