Geometry & MOs

Info

ID:	386705
PubChem CID:	134982609
Reduced:	NO3H13C14 (2)
Stoich.:	AB3C13D14 (2)
Weight, g/mol:	415.995072
ΔH_f, kcal/mol:	-64.61
Dipole, Da:	7.99
IP(EA), eV:	-8.73(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

as-indacene;iron

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C=C2C(=C1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)OC)OCO3)N6CCOCC6

DOS

IR

Vibrations