Geometry & MOs

Info

ID:	147655
PubChem CID:	53787312
Reduced:	OF5H15C17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	155.131014
ΔH_f, kcal/mol:	-282.8
Dipole, Da:	6.37
IP(EA), eV:	-9.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)but-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(OC2=CC=C(C=C2)C(F)(F)F)(F)F

DOS

IR

Vibrations