Geometry & MOs

Info

ID:	370730
PubChem CID:	127340028
Reduced:	SO2N4C19H30 (1)
Stoich.:	AB2C4D19E30 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-77.42
Dipole, Da:	3.4
IP(EA), eV:	-8.8(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-oxo-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CN(C1CCCCC1)C(=O)CSCC(=O)N2CCC(CC2)C3=CC=NN3

DOS

IR

Vibrations