Geometry & MOs

Info

ID:	13559
PubChem CID:	301139
Reduced:	NO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	251.094629
ΔH_f, kcal/mol:	42.16
Dipole, Da:	4.53
IP(EA), eV:	-9.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-nitrotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene

Drug info:

PubChemData

Smile

C1CC2(C3=CC=CC=C3C1C4=CC=CC=C42)[N+](=O)[O-]

DOS

IR

Vibrations