Geometry & MOs

Info

ID:	313769
PubChem CID:	126617524
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	345.004765
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	2.21
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-1-phosphanyl-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-4-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC[C@@H]1CN(CCO1)C2=NC3=C(CCOCC3)C(=C2)C(=O)NC4=NC=C(C=C4)C

DOS

IR

Vibrations