Geometry & MOs

Info

ID:	147286
PubChem CID:	53786941
Reduced:	OC5H10 (2)
Stoich.:	AB5C10 (2)
Weight, g/mol:	352.103477
ΔH_f, kcal/mol:	-130.09
Dipole, Da:	1.95
IP(EA), eV:	-9.86(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-1-oxidopyridin-1-ium-2-yl)-2,2-dimethyl-6-(trifluoromethyl)-1,3-benzoxazine

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@H](COC(O1)(C)C)C

DOS

IR

Vibrations