Geometry & MOs

Info

ID:	385949
PubChem CID:	134980386
Reduced:	H22C23 (1)
Stoich.:	A22B23 (1)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	77.07
Dipole, Da:	0.6
IP(EA), eV:	-9.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[(E)-but-2-enylidene]octanoate

Drug info:

PubChemData

Smile

CCC1(C(C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations