Geometry & MOs

Info

ID:	201884
PubChem CID:	79596301
Reduced:	NSBr2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	219.95575
ΔH_f, kcal/mol:	48.65
Dipole, Da:	2.42
IP(EA), eV:	-9.15(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromothiophen-3-yl)propan-2-ol

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC=C1)Br)C2=CSC=C2Br

DOS

IR

Vibrations