Geometry & MOs

Info

ID:	46935
PubChem CID:	10528503
Reduced:	O7H26C28 (1)
Stoich.:	A7B26C28 (1)
Weight, g/mol:	474.157957
ΔH_f, kcal/mol:	-195.04
Dipole, Da:	3.68
IP(EA), eV:	-9.44(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10b,10c-dimethyl-2,7-bis(2-nitrophenyl)pyrene

Drug info:

PubChemData

Smile

COC(=O)C1=C[C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations