Geometry & MOs

Info

ID:	402604
PubChem CID:	135056545
Reduced:	NO3C8H15 (1)
Stoich.:	AB3C8D15 (1)
Weight, g/mol:	195.162314
ΔH_f, kcal/mol:	-147.38
Dipole, Da:	2.42
IP(EA), eV:	-10.22(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-tert-butyl-5-methyl-4-methylidenehex-2-enamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)OC)NC=O

DOS

IR

Vibrations