Geometry & MOs

Info

ID:	308036
PubChem CID:	125312376
Reduced:	ClNOF3H11C15 (1)
Stoich.:	ABCD3E11F15 (1)
Weight, g/mol:	313.048126
ΔH_f, kcal/mol:	-117.16
Dipole, Da:	3.68
IP(EA), eV:	-9.23(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-chloro-4-(2-cyclopropylethynyl)-2-methyl-4-(trifluoromethyl)-3,1-benzoxazine

Drug info:

PubChemData

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CC1=NC2=C(C=C(C=C2)Cl)[C@@](O1)(C#CC3CC3)C(F)(F)F

DOS

IR

Vibrations