Geometry & MOs

Info

ID:	258830
PubChem CID:	103157168
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	263.152144
ΔH_f, kcal/mol:	-45.3
Dipole, Da:	2.36
IP(EA), eV:	-9.35(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylamino)-3-cyclopentylpropan-2-ol

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCC2=CC=C(C=C2)Br)O

DOS

IR

Vibrations