Geometry & MOs

Info

ID:	404873
PubChem CID:	135071545
Reduced:	NO2C23H27 (1)
Stoich.:	AB2C23D27 (1)
Weight, g/mol:	382.04298
ΔH_f, kcal/mol:	-52.38
Dipole, Da:	2.31
IP(EA), eV:	-9.51(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-iodonon-8-en-1-ynyl)benzoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)N(CC=C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations