Geometry & MOs

Info

ID:	55338
PubChem CID:	17390069
Reduced:	NO5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	243.0354
ΔH_f, kcal/mol:	-225.83
Dipole, Da:	4.92
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-thiophen-2-yl-1,3-benzoxazin-4-one

Drug info:

PubChemData

Smile

CCOCC1CCNCC1.C(=O)(C(=O)O)O

DOS

IR

Vibrations