Geometry & MOs

Info

ID:	203780
PubChem CID:	79869111
Reduced:	ClFNO4H9C13 (1)
Stoich.:	ABCD4E9F13 (1)
Weight, g/mol:	271.105587
ΔH_f, kcal/mol:	-86.89
Dipole, Da:	2.23
IP(EA), eV:	-9.77(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC(=C(C=C2[N+](=O)[O-])Cl)F)CO

DOS

IR

Vibrations