Geometry & MOs

Info

ID:	445053
PubChem CID:	135264397
Reduced:	SN4H18C29 (1)
Stoich.:	AB4C18D29 (1)
Weight, g/mol:	377.098669
ΔH_f, kcal/mol:	246.61
Dipole, Da:	4.35
IP(EA), eV:	-8.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(5-phenylpyrimidin-2-yl)thieno[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC(=NC(=C4)C5=CC=CC=N5)C6=CC=CC=N6)C7=C(C=C3)SC=C7

DOS

IR

Vibrations