Geometry & MOs

Info

ID:	413228
PubChem CID:	135086175
Reduced:	NO2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	273.097663
ΔH_f, kcal/mol:	-135.21
Dipole, Da:	1.32
IP(EA), eV:	-9.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methoxy-N-methyl-3-[4-(trifluoromethyl)phenyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#CC1=CN=CC=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations