Geometry & MOs

Info

ID:	225132
PubChem CID:	85741923
Reduced:	PN3O4C8H12 (1)
Stoich.:	AB3C4D8E12 (1)
Weight, g/mol:	266.203451
ΔH_f, kcal/mol:	-143.27
Dipole, Da:	3.7
IP(EA), eV:	-9.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1a,6-diethyl-1-phenyl-2,3,4,5,6,6a-hexahydro-1H-cyclopropa[a]indene

Drug info:

PubChemData

Smile

CCOP(=O)(C1=NOC(=C1C#N)N)OCC

DOS

IR

Vibrations