Geometry & MOs

Info

ID:	412955
PubChem CID:	135085892
Reduced:	O3C12H14 (1)
Stoich.:	A3B12C14 (1)
Weight, g/mol:	196.170139
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	2.83
IP(EA), eV:	-8.0(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-N-tert-butyl-2-propan-2-yloxypent-3-enenitrilium

Drug info:

PubChemData

Smile

CCOC#CC1=CC(=C(C=C1)OC)OC

DOS

IR

Vibrations