Geometry & MOs

Info

ID:	44926
PubChem CID:	10506552
Reduced:	NPO7C27H56 (1)
Stoich.:	ABC7D27E56 (1)
Weight, g/mol:	539.259128
ΔH_f, kcal/mol:	-435.85
Dipole, Da:	13.37
IP(EA), eV:	-8.91(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

32-hydroxy-8-nitro-18,21,26,29-tetraoxa-1,4,12,15-tetrazatricyclo[13.8.8.16,10]dotriaconta-6,8,10(32)-triene-3,13-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC1(COCOC1)COP(=O)([O-])OCC[N+](C)(C)C

DOS

IR

Vibrations