Geometry & MOs

Info

ID:	407002
PubChem CID:	135079095
Reduced:	O4H26C29 (1)
Stoich.:	A4B26C29 (1)
Weight, g/mol:	200.120115
ΔH_f, kcal/mol:	-45.04
Dipole, Da:	1.31
IP(EA), eV:	-9.1(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-pent-2-ynoxyprop-1-enyl]benzene

Drug info:

PubChemData

Smile

C#CCC(C/C=C/C1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations