Geometry & MOs

Info

ID:	380786
PubChem CID:	134971347
Reduced:	NS2O4C17H31 (1)
Stoich.:	AB2C4D17E31 (1)
Weight, g/mol:	238.1304
ΔH_f, kcal/mol:	-234.19
Dipole, Da:	5.82
IP(EA), eV:	-8.72(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,2-dimethyl-8-nitro-6,11-diaza-2-azoniatricyclo[5.3.1.04,11]undeca-7,9-dien-1-amine

Drug info:

PubChemData

Smile

CCC1(SCCS1)CCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations