Geometry & MOs

Info

ID:	445058
PubChem CID:	135264405
Reduced:	SN2H16C25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	379.114319
ΔH_f, kcal/mol:	133.17
Dipole, Da:	2.13
IP(EA), eV:	-8.11(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(2-phenyl-1,2-dihydropyrimidin-6-yl)thieno[3,2-b]carbazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C5=CN=CC=C5)C=C6C=CSC6=C3

DOS

IR

Vibrations