Geometry & MOs

Info

ID:	320622
PubChem CID:	126662133
Reduced:	IH15C26 (1)
Stoich.:	AB15C26 (1)
Weight, g/mol:	373.110279
ΔH_f, kcal/mol:	148.2
Dipole, Da:	1.42
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitrohexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C5=C(C6=CC=CC=C64)C(=CC=C5)I

DOS

IR

Vibrations