Geometry & MOs

Info

ID:	25287
PubChem CID:	622247
Reduced:	Cl2N2C33H46 (1)
Stoich.:	A2B2C33D46 (1)
Weight, g/mol:	266.153147
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	4.81
IP(EA), eV:	-9.4(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7,13,15-tetramethyl-4,8,12,16-tetrazatricyclo[9.5.0.03,9]hexadeca-1(11),2,4,7,9,12,15-heptaene

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5=NC6=CC(=C(C=C6N=C45)Cl)Cl)C)C

DOS

IR

Vibrations