Geometry & MOs

Info

ID:	273764
PubChem CID:	103799572
Reduced:	NF3O3C13H22 (1)
Stoich.:	AB3C3D13E22 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	-326.72
Dipole, Da:	5.84
IP(EA), eV:	-10.22(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)C1CCCCC1C(F)(F)F

DOS

IR

Vibrations