Geometry & MOs

Info

ID:	446681
PubChem CID:	135276903
Reduced:	OC8H10 (2)
Stoich.:	AB8C10 (2)
Weight, g/mol:	462.418529
ΔH_f, kcal/mol:	-60.62
Dipole, Da:	2.01
IP(EA), eV:	-9.48(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1E)-2,2,4,6,8,8,10,11,13,15,15-undecamethyl-5,12-diazabicyclo[7.6.0]pentadec-1(9)-ene-12-carboxylate

Drug info:

PubChemData

Smile

CCC/C(=C\C1=CC=CC=C1)/C=C/C(=O)OCC

DOS

IR

Vibrations