Geometry & MOs

Info

ID:	320009
PubChem CID:	126657849
Reduced:	Cl2F2O5N11C52H55 (1)
Stoich.:	A2B2C5D11E52F55 (1)
Weight, g/mol:	183.162314
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	12.15
IP(EA), eV:	-8.52(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-tert-butyl-3-oxa-8-azabicyclo[4.2.1]nonane

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCC4C5CN(CCO5)CCCOC6=C(C=C7C(=C6)N=CN=C7NC8=CC(=C(C=C8)F)Cl)NC(=O)/C=C/CN9CCCCC9

DOS

IR

Vibrations