Geometry & MOs

Info

ID:	130274
PubChem CID:	51075474
Reduced:	N3O3H15C17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	348.12224
ΔH_f, kcal/mol:	-55.68
Dipole, Da:	6.79
IP(EA), eV:	-9.31(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(1-phenylpyrazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CNC(=O)C2=CN=C3C=CC=CN3C2=O)O

DOS

IR

Vibrations