Geometry & MOs

Info

ID:	382669
PubChem CID:	134973960
Reduced:	BrNH16C19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	342.144222
ΔH_f, kcal/mol:	55.38
Dipole, Da:	3.84
IP(EA), eV:	-9.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-phenylbenzo[e][1]benzothiole

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=C1C2=CC=CC=C2)Br)C)C3=CC=CC=C3

DOS

IR

Vibrations