Geometry & MOs

Info

ID:	365821
PubChem CID:	127318695
Reduced:	O3N4C21H26 (1)
Stoich.:	A3B4C21D26 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-75.3
Dipole, Da:	5.39
IP(EA), eV:	-8.26(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CCCCC3C4=CNN=C4

DOS

IR

Vibrations