Geometry & MOs

Info

ID:	247815
PubChem CID:	103075762
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	287.138225
ΔH_f, kcal/mol:	9.31
Dipole, Da:	2.12
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[3-(triazol-1-yl)propylamino]methyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1C(=O)NC2=C(O1)C=CC(=C2)CNCCN3C=CN=N3

DOS

IR

Vibrations