Geometry & MOs

Info

ID:	205450
PubChem CID:	80103810
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	325.0136
ΔH_f, kcal/mol:	-7.88
Dipole, Da:	2.49
IP(EA), eV:	-8.73(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(5-bromothiophen-2-yl)-2-(ethylamino)ethyl]phenol

Drug info:

PubChemData

Smile

CCNC(CC1=CC=C(C=C1)O)C2=NC=CC(=C2)C

DOS

IR

Vibrations