Geometry & MOs

Info

ID:	445051
PubChem CID:	135264395
Reduced:	N4O5C42H54 (1)
Stoich.:	A4B5C42D54 (1)
Weight, g/mol:	453.129969
ΔH_f, kcal/mol:	-175.66
Dipole, Da:	11.41
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(4,6-diphenylpyrimidin-2-yl)thieno[3,2-a]carbazole

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(NC(CCC)C(=O)O)O)NC(=O)C4=CC=C(C=C4)C(C)(C)C

DOS

IR

Vibrations