Geometry & MOs

Info

ID:	220973
PubChem CID:	85248061
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	251.149699
ΔH_f, kcal/mol:	33.73
Dipole, Da:	0.93
IP(EA), eV:	-8.82(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-2-(1,1,1-trifluoro-3-methylbutan-2-yl)pent-4-enamide

Drug info:

PubChemData

Smile

C1C(=CC2=C1C(=CC=C2)OC3=CC=CC=C3)C=NO

DOS

IR

Vibrations