Geometry & MOs

Info

ID:	401997
PubChem CID:	135053759
Reduced:	ON2C13H16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	484.199947
ΔH_f, kcal/mol:	4.51
Dipole, Da:	4.59
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,4Z)-9-hydroxy-3-methyl-4-tributylstannylnona-2,4-dien-7-ynoate

Drug info:

PubChemData

Smile

CCCCN(C#N)C1=CC=CC(=C1)C(=O)C

DOS

IR

Vibrations