Geometry & MOs

Info

ID:	386365
PubChem CID:	134981520
Reduced:	NbP2Cl3C11H26 (1)
Stoich.:	AB2C3D11E26 (1)
Weight, g/mol:	180.151415
ΔH_f, kcal/mol:	-133.71
Dipole, Da:	3.16
IP(EA), eV:	-7.92(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-2-butyl-4,4a,5,6,7,7a-hexahydrocyclopenta[b]pyran

Drug info:

PubChemData

Smile

CC(C)(C)C=[Nb](Cl)(Cl)Cl.CP(C)CCP(C)C

DOS

IR

Vibrations