Geometry & MOs

Info

ID:	298501
PubChem CID:	117650293
Reduced:	ON2H52C59 (1)
Stoich.:	AB2C52D59 (1)
Weight, g/mol:	476.206405
ΔH_f, kcal/mol:	173.79
Dipole, Da:	2.89
IP(EA), eV:	-7.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-1-N,3-N-bis(2-fluorophenyl)pyrene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(C)C2=CC=CC(=C2)C3=CC=CC=C3OC4=CC=CC=C4C5=CC(=CC=C5)N(C6=CC=CC=C6C)/C(=C/7\C=CC8=C9C7=CC=CC9=CC(=C8)C(C)(C)C)/C=C

DOS

IR

Vibrations