Geometry & MOs

Info

ID:	14351
PubChem CID:	409887
Reduced:	O2N3H26C30 (1)
Stoich.:	A2B3C26D30 (1)
Weight, g/mol:	460.202502
ΔH_f, kcal/mol:	164.97
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.174540
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[4-[[2-[(4-nitrophenyl)methylideneamino]fluoren-9-ylidene]methyl]phenyl]azanium

Drug info:

PubChemData

Smile

C[N+](C)(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)N=CC5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations