Geometry & MOs

Info

ID:	404555
PubChem CID:	135066751
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-52.34
Dipole, Da:	4.09
IP(EA), eV:	-8.5(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl bicyclo[7.2.2]trideca-1(11),9,12-triene-10,11-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC=C1)C(CN2C(=O)C)(C)C

DOS

IR

Vibrations