Geometry & MOs

Info

ID:	442098
PubChem CID:	135249798
Reduced:	ON2H32C43 (1)
Stoich.:	AB2C32D43 (1)
Weight, g/mol:	593.246713
ΔH_f, kcal/mol:	121.29
Dipole, Da:	2.09
IP(EA), eV:	-8.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2-[5-(9-naphthalen-2-yl-7-phenylbenzo[c]carbazol-5-yl)pyridin-2-yl]-5H-1,3-oxazole

Drug info:

PubChemData

Smile

CC1(CN=C(O1)C2=CC=C(C=C2)C3=CC4=C(C5=C(N4C6=CC=CC=C6)C=C(C=C5)C7=CC8=CC=CC=C8C=C7)C9=CC=CC=C93)C

DOS

IR

Vibrations