Geometry & MOs

Info

ID:	194104
PubChem CID:	78483841
Reduced:	SN2O4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	182.153147
ΔH_f, kcal/mol:	-33.99
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.231973
Charge, e:	2

Chem-info

IUPAC name:

(5-methyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ylidene)hydrazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NN=C(CCC(=O)[O-])C3=CC=CS3

DOS

IR

Vibrations