Geometry & MOs

Info

ID:	272359
PubChem CID:	103740389
Reduced:	SO2N3C17H31 (1)
Stoich.:	AB2C3D17E31 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-121.98
Dipole, Da:	0.93
IP(EA), eV:	-8.93(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[1-(hydroxymethyl)cyclopentyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNCC(C)(C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations