Geometry & MOs

Info

ID:	378082
PubChem CID:	134224153
Reduced:	OCl2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	274.092912
ΔH_f, kcal/mol:	6.56
Dipole, Da:	3.24
IP(EA), eV:	-9.23(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]propanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=C)C(=O)C2=C(C=CC=C2Cl)Cl

DOS

IR

Vibrations