Geometry & MOs

Info

ID:	313771
PubChem CID:	126617535
Reduced:	PN4O4C15H17 (1)
Stoich.:	AB4C4D15E17 (1)
Weight, g/mol:	318.088177
ΔH_f, kcal/mol:	-104.32
Dipole, Da:	1.83
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-1-phosphanyl-N-pyrazin-2-yl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)NC(=O)C2=CC(=O)N(C3=C2CCOCC3)P

DOS

IR

Vibrations