Geometry & MOs

Info

ID:	311997
PubChem CID:	126600713
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	418.055875
ΔH_f, kcal/mol:	-160.7
Dipole, Da:	1.21
IP(EA), eV:	-8.59(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(pyridazin-3-ylcarbamoyl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridin-2-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=NC3=C(CCOCC3)C(=C2)C(=O)OC

DOS

IR

Vibrations