Geometry & MOs

Info

ID:	206816
PubChem CID:	80305091
Reduced:	BrOSN2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	208.067034
ΔH_f, kcal/mol:	-7.53
Dipole, Da:	1.42
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-thiazol-2-ylmethyl)pyrrol-3-yl]ethanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CSC(=N1)CNC2=C(C(=CC=C2)Br)COC

DOS

IR

Vibrations