Geometry & MOs

Info

ID:	277527
PubChem CID:	103829211
Reduced:	BrNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	211.132077
ΔH_f, kcal/mol:	-102.64
Dipole, Da:	1.41
IP(EA), eV:	-9.12(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]cyclopentyl]methanol

Drug info:

PubChemData

Smile

C1CC1N(C(C2=C(C=CS2)Br)C(=O)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations