Geometry & MOs

Info

ID:	277027
PubChem CID:	103826337
Reduced:	NO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	278.99286
ΔH_f, kcal/mol:	-51.96
Dipole, Da:	1.03
IP(EA), eV:	-9.05(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(4-bromo-5-methoxythiophen-2-yl)methylamino]propan-1-ol

Drug info:

PubChemData

Smile

CC1(CCOCC1)CNCC2=COC3=CC=CC=C32

DOS

IR

Vibrations