Geometry & MOs

Info

ID:	146232
PubChem CID:	53655633
Reduced:	SO5N6C13H16 (1)
Stoich.:	AB5C6D13E16 (1)
Weight, g/mol:	344.04119
ΔH_f, kcal/mol:	-121.05
Dipole, Da:	9.76
IP(EA), eV:	-9.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromophenoxy)phenyl]-3-methylpent-1-yn-3-ol

Drug info:

PubChemData

Smile

CCN1C=CN=C1S(=O)(=O)NC(=O)NC2=C(N=C(N=C2OC)C=O)C

DOS

IR

Vibrations