Geometry & MOs

Info

ID:	390966
PubChem CID:	135001904
Reduced:	NO2C7H13 (1)
Stoich.:	AB2C7D13 (1)
Weight, g/mol:	272.102414
ΔH_f, kcal/mol:	-83.37
Dipole, Da:	1.02
IP(EA), eV:	-9.92(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[2-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC=C)N

DOS

IR

Vibrations