Geometry & MOs

Info

ID:	269915
PubChem CID:	103619653
Reduced:	BrON3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	271.1606
ΔH_f, kcal/mol:	-3.28
Dipole, Da:	7.47
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-ethylthiophen-2-yl)methylamino]-3-(2-methylpropoxy)propan-2-ol

Drug info:

PubChemData

Smile

CCCNC(=O)NC1=C(C=C(C=C1)C#N)Br

DOS

IR

Vibrations