Geometry & MOs

Info

ID:	259038
PubChem CID:	103158062
Reduced:	BrNOC18H22 (1)
Stoich.:	ABCD18E22 (1)
Weight, g/mol:	325.10413
ΔH_f, kcal/mol:	-29.43
Dipole, Da:	3.25
IP(EA), eV:	-8.4(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-2-ethylanilino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNC2=CC3=C(C=C2)C=C(C=C3)Br)O

DOS

IR

Vibrations