Geometry & MOs

Info

ID:	405537
PubChem CID:	135074326
Reduced:	NOH7C8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	382.04298
ΔH_f, kcal/mol:	11.49
Dipole, Da:	3.0
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(6-iodonon-8-en-1-ynyl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C(=O)N2N

DOS

IR

Vibrations