Geometry & MOs

Info

ID:	296501
PubChem CID:	117579824
Reduced:	FNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	1.48
IP(EA), eV:	-8.7(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-dihydroxypropan-2-yl)-2-methyl-6-(methylamino)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N(C)C(CO)CO)F

DOS

IR

Vibrations