Geometry & MOs

Info

ID:	312614
PubChem CID:	126606825
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	213.172879
ΔH_f, kcal/mol:	-180.44
Dipole, Da:	3.04
IP(EA), eV:	-8.46(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C(=C)C1(OCCO1)C2=C(C=C(C=C2)OC)OC)\OC)/OC

DOS

IR

Vibrations