Geometry & MOs

Info

ID:	270620
PubChem CID:	103637336
Reduced:	NOBr2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	344.95898
ΔH_f, kcal/mol:	-9.31
Dipole, Da:	4.65
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)Br)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations