Geometry & MOs

Info

ID:	382688
PubChem CID:	134974001
Reduced:	O3C9H16 (1)
Stoich.:	A3B9C16 (1)
Weight, g/mol:	429.177
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	3.87
IP(EA), eV:	-9.82(1.99)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-1H-3,1-benzoxazin-2-id-4-one;rutherfordium

Drug info:

PubChemData

Smile

C1C[C@@]2(CC[C@H]([C@H](C2)O)O)OC1

DOS

IR

Vibrations