Geometry & MOs

Info

ID:	200859
PubChem CID:	79454436
Reduced:	ClNSC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	369.93909
ΔH_f, kcal/mol:	36.75
Dipole, Da:	1.82
IP(EA), eV:	-8.96(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenyl)-3-(4-bromophenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1CNCC(C1C2=CSC=C2)C3=CC=CC=C3Cl

DOS

IR

Vibrations