Geometry & MOs

Info

ID:	395538
PubChem CID:	135025725
Reduced:	O7C22H30 (1)
Stoich.:	A7B22C30 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-293.93
Dipole, Da:	4.88
IP(EA), eV:	-8.99(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[2-[4-(3-cyanopropoxy)phenyl]prop-2-enyl]-2-methylpropanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC(=C)C1=CC=CC=C1OCCCC(=O)OC)C(=O)OCC

DOS

IR

Vibrations