Geometry & MOs

Info

ID:	270544
PubChem CID:	103637079
Reduced:	BrNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	310.99795
ΔH_f, kcal/mol:	-22.05
Dipole, Da:	3.94
IP(EA), eV:	-8.82(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[(2-thiophen-3-ylethylamino)methyl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)C(C)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations