Geometry & MOs

Info

ID:	29193
PubChem CID:	832271
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	268.096026
ΔH_f, kcal/mol:	-28.14
Dipole, Da:	5.9
IP(EA), eV:	-8.55(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-methoxyphenyl)-5,6-dihydro-4H-imidazo[4,5-e][2,1,3]benzoxadiazole

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(N2)CCCC3=O

DOS

IR

Vibrations