Geometry & MOs

Info

ID:	361609
PubChem CID:	127303875
Reduced:	ON2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-71.89
Dipole, Da:	4.0
IP(EA), eV:	-9.39(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[2-oxo-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)C3CCCOC3

DOS

IR

Vibrations