Geometry & MOs

Info

ID:	341836
PubChem CID:	127264529
Reduced:	BrNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	1090.283671
ΔH_f, kcal/mol:	-101.25
Dipole, Da:	2.86
IP(EA), eV:	-9.46(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,9,10,11,12-pentabenzoyloxy-3-[4-[(E)-3-oxoprop-1-enoxy]butoxy]triphenylen-2-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCC2=C1C(=CC=C2)Br

DOS

IR

Vibrations