Geometry & MOs

Info

ID:	262522
PubChem CID:	103298077
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	297.101251
ΔH_f, kcal/mol:	-174.83
Dipole, Da:	7.93
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-fluoro-3-methyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C(=O)OCC(=O)NC(C)C)N

DOS

IR

Vibrations