Geometry & MOs

Info

ID:	216927
PubChem CID:	85086998
Reduced:	Cl2N2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	317.087492
ΔH_f, kcal/mol:	72.3
Dipole, Da:	6.47
IP(EA), eV:	-7.95(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-4,4,4-trifluoro-3-(4-hydroxyanilino)but-2-enoate

Drug info:

PubChemData

Smile

CC1=C2C=CC=CC2=NC1=C(C)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations