Geometry & MOs

Info

ID:	442116
PubChem CID:	135249901
Reduced:	ON2H15C17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	526.236876
ΔH_f, kcal/mol:	69.16
Dipole, Da:	1.53
IP(EA), eV:	-8.35(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[10-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyridin-3-yl]anthracen-9-yl]pyridin-3-yl]-4,4-dimethyl-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(COC(=N1)C2=CC=CC(=N2)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=NC(=CC=C6)C7=NC(CO7)(C)C)C

DOS

IR

Vibrations