Geometry & MOs

Info

ID:	149254
PubChem CID:	53788926
Reduced:	ON2C6H11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	314.188195
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	7.02
IP(EA), eV:	-9.52(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-benzyl-3-methyl-7-oxocyclohept-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC(=N)CC(=O)NCCCCNC(=O)CC(=N)C

DOS

IR

Vibrations