Geometry & MOs

Info

ID:	378539
PubChem CID:	134224628
Reduced:	S2N3H23C42 (1)
Stoich.:	A2B3C23D42 (1)
Weight, g/mol:	399.06226
ΔH_f, kcal/mol:	225.69
Dipole, Da:	2.08
IP(EA), eV:	-8.06(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(4-bromophenyl)phenyl]-4,4a-dihydrocarbazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4S3)N=C2N5C6=C(C7=CC=CC=C7C=C6)C8=C5C=C9C1=C(C2=CC=CC=C2C=C1)SC9=C8

DOS

IR

Vibrations