Geometry & MOs

Info

ID:	261852
PubChem CID:	103255332
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	287.113313
ΔH_f, kcal/mol:	-67.91
Dipole, Da:	6.73
IP(EA), eV:	-9.23(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-methyl-4-[2-methyl-5-(trifluoromethyl)anilino]but-2-enoate

Drug info:

PubChemData

Smile

C1CC(CC=C1)NCC2=CC3=C(C=C2)OC(=C3)C(=O)O

DOS

IR

Vibrations