Geometry & MOs

Info

ID:	320815
PubChem CID:	126663709
Reduced:	FNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	420.181093
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	4.6
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-bis(benzotriazol-1-yl)-2,7-dimethyl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraene

Drug info:

PubChemData

Smile

C1CC2=C(C=C1)C=C(C=C2)NC(=O)F

DOS

IR

Vibrations