Geometry & MOs

Info

ID:	319340
PubChem CID:	126655693
Reduced:	NOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	235.084458
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	2.39
IP(EA), eV:	-8.35(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-acetyl-4-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCN1CCSC2=C1C=C(C=C2)C(=O)C

DOS

IR

Vibrations