Geometry & MOs

Info

ID:	336950
PubChem CID:	127255957
Reduced:	SP3N5O12C17H22 (1)
Stoich.:	AB3C5D12E17F22 (1)
Weight, g/mol:	456.05136
ΔH_f, kcal/mol:	-631.44
Dipole, Da:	3.17
IP(EA), eV:	-8.79(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-anthracen-9-yl-6-bromopyrene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O

DOS

IR

Vibrations