Geometry & MOs

Info

ID:	204674
PubChem CID:	79996070
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	355.02416
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	5.58
IP(EA), eV:	-8.61(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

COCCN(CCC#N)CC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations