Geometry & MOs

Info

ID:	54488
PubChem CID:	17388763
Reduced:	FO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	400.279804
ΔH_f, kcal/mol:	-261.1
Dipole, Da:	5.33
IP(EA), eV:	-9.95(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dinitro-1,2-diaza-4-azanidacyclopenta-2,5-diene;tetrabutylazanium

Drug info:

PubChemData

Smile

CC12CC([C@]3(C(C1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O

DOS

IR

Vibrations