Geometry & MOs

Info

ID:	374539
PubChem CID:	131331254
Reduced:	ClF2N2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	221.068808
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	4.39
IP(EA), eV:	-9.91(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethyl-5-nitrophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)F)Cl)C(CC#N)N

DOS

IR

Vibrations