Geometry & MOs

Info

ID:	244994
PubChem CID:	99431958
Reduced:	N3O6C25H29 (1)
Stoich.:	A3B6C25D29 (1)
Weight, g/mol:	472.17467
ΔH_f, kcal/mol:	-224.84
Dipole, Da:	2.84
IP(EA), eV:	-9.24(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCC(CC2)C(=O)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations