Geometry & MOs

Info

ID:	168763
PubChem CID:	75014985
Reduced:	O5C26H28 (1)
Stoich.:	A5B26C28 (1)
Weight, g/mol:	220.132411
ΔH_f, kcal/mol:	-143.21
Dipole, Da:	1.93
IP(EA), eV:	-8.38(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-1,4,5,8-tetrazatricyclo[8.3.0.03,7]trideca-3,8-dien-2-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C=CC2=C1OCC3C2OC4=C(C5=C(C=C34)OCO5)CC=C(C)C)O)C

DOS

IR

Vibrations