Geometry & MOs

Info

ID:	207967
PubChem CID:	80475082
Reduced:	BrNOSC9H14 (1)
Stoich.:	ABCDE9F14 (1)
Weight, g/mol:	277.0136
ΔH_f, kcal/mol:	-32.43
Dipole, Da:	0.8
IP(EA), eV:	-9.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-4-(ethylamino)butan-2-ol

Drug info:

PubChemData

Smile

CC(CCNC)(C1=C(C=CS1)Br)O

DOS

IR

Vibrations