Geometry & MOs

Info

ID:	228652
PubChem CID:	87565483
Reduced:	O4C7H15 (2)
Stoich.:	A4B7C15 (2)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	-374.1
Dipole, Da:	1.85
IP(EA), eV:	-10.18(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bicyclo[3.1.0]hexa-1(6),2,4-triene;1-phenyl-N-(1-phenylethyl)prop-2-yn-1-amine

Drug info:

PubChemData

Smile

CCCCOCC(=O)O.C(COCCOCCOCCO)O

DOS

IR

Vibrations