Geometry & MOs

Info

ID:	6527
PubChem CID:	68813
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	231.148396
ΔH_f, kcal/mol:	63.72
Dipole, Da:	8.32
IP(EA), eV:	-8.53(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C3=C1CCN3C(C)(C)C

DOS

IR

Vibrations