Geometry & MOs

Info

ID:	394537
PubChem CID:	135023153
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	426.274324
ΔH_f, kcal/mol:	-111.72
Dipole, Da:	3.71
IP(EA), eV:	-9.83(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[3,4-bis[[(1,3-dimethylimidazolidin-2-ylidene)amino]methyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]1(CC2CC(=O)[C@@H]2C=C1)C(=O)OC

DOS

IR

Vibrations