Geometry & MOs

Info

ID:	395492
PubChem CID:	135025590
Reduced:	O5C22H32 (1)
Stoich.:	A5B22C32 (1)
Weight, g/mol:	377.199094
ΔH_f, kcal/mol:	-227.76
Dipole, Da:	1.19
IP(EA), eV:	-8.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[2-(3-cyanopropoxy)-5-phenylphenyl]-2,2-dimethylbut-3-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCCCOC1=CC=CC=C1/C=C/C(C)(C)C(=O)OCC

DOS

IR

Vibrations