Geometry & MOs

Info

ID:	385561
PubChem CID:	134979411
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-67.46
Dipole, Da:	2.78
IP(EA), eV:	-8.74(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-methyl-N-[(E)-2-methyl-6-oxooct-3-enyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCCCCCC2=CC(=CC=C2)OC

DOS

IR

Vibrations