Geometry & MOs

Info

ID:	126575
PubChem CID:	50968494
Reduced:	ClOSN5C15H16 (1)
Stoich.:	ABCD5E15F16 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	38.35
Dipole, Da:	11.22
IP(EA), eV:	-8.85(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(2-phenylpyrazol-3-yl)-8,9-dihydro-6H-pyrido[2,3-g][1,4]benzoxazine-3,7-dione

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)CCN(CC2)CC3=C(N=C4N3C=CS4)Cl

DOS

IR

Vibrations