Geometry & MOs

Info

ID:	400054
PubChem CID:	135044866
Reduced:	ClNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	248.104859
ΔH_f, kcal/mol:	-86.06
Dipole, Da:	2.85
IP(EA), eV:	-9.32(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-methyl-2-[(E)-2-phenylethenyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=C2C=C(C(=CC2=N1)OC)Cl)C(=O)O

DOS

IR

Vibrations