Geometry & MOs

Info

ID:	384148
PubChem CID:	134976427
Reduced:	NOC9H13 (1)
Stoich.:	ABC9D13 (1)
Weight, g/mol:	794.450617
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	4.81
IP(EA), eV:	-8.69(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,17-dinitro-25,26,27,28-tetrapentoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaene

Drug info:

PubChemData

Smile

CC(=C=CN1CCCC1=O)C

DOS

IR

Vibrations