Geometry & MOs

Info

ID:	445038
PubChem CID:	135264369
Reduced:	N3H23C31 (1)
Stoich.:	A3B23C31 (1)
Weight, g/mol:	377.098669
ΔH_f, kcal/mol:	159.47
Dipole, Da:	2.38
IP(EA), eV:	-7.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(5-phenylpyrimidin-2-yl)thieno[2,3-b]carbazole

Drug info:

PubChemData

Smile

C1C=CC=CC1N2C3=CC=CC=C3C4=C2C5=C(C=C4)N(C=C5)C6=CC=C(C=C6)C7=CC=CC=N7

DOS

IR

Vibrations