Geometry & MOs

Info

ID:	237329
PubChem CID:	92718575
Reduced:	O2N3H13C17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	298.095357
ΔH_f, kcal/mol:	1.85
Dipole, Da:	4.78
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)C#N)NC2=CC3=C(C=C2)C(=O)NC3=O

DOS

IR

Vibrations