Geometry & MOs

Info

ID:	285210
PubChem CID:	104098671
Reduced:	FNO2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	293.00851
ΔH_f, kcal/mol:	-134.86
Dipole, Da:	4.0
IP(EA), eV:	-9.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-4-methylthiophen-2-yl)methylamino]-2-methylpropane-1,3-diol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)CNC(C)(CO)CO

DOS

IR

Vibrations