Geometry & MOs

Info

ID:	352479
PubChem CID:	127283567
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	4.26
IP(EA), eV:	-9.59(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2CC(CC2=O)C(=O)N3CCCC(C3)N4C=NC=N4

DOS

IR

Vibrations