Geometry & MOs

Info

ID:	381669
PubChem CID:	134972467
Reduced:	C4H5 (2)
Stoich.:	A4B5 (2)
Weight, g/mol:	463.308644
ΔH_f, kcal/mol:	51.43
Dipole, Da:	0.72
IP(EA), eV:	-9.09(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-methyl-3-nitrophenyl)ethynyl]-5-pentadecylphenol

Drug info:

PubChemData

Smile

C/C=C(\C)/C#CC=C

DOS

IR

Vibrations