Geometry & MOs

Info

ID:	445412
PubChem CID:	135266924
Reduced:	SO5N6F7H31C37 (1)
Stoich.:	AB5C6D7E31F37 (1)
Weight, g/mol:	147.054495
ΔH_f, kcal/mol:	-336.52
Dipole, Da:	6.82
IP(EA), eV:	-9.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,8,9,10-tetrazabicyclo[5.3.0]deca-1,2,4,6,8-pentaen-4-amine

Drug info:

PubChemData

Smile

CC(C)(C#CC1=NC(=C(C=C1)C2=CC=CC3=C2ON=C3NS(=O)(=O)C)[C@H](CC4=CC(=CC(=C4)F)F)NC(=O)CN5C6=C([C@H]7CC[C@H]7C6(F)F)C(=N5)C(F)(F)F)O

DOS

IR

Vibrations