Geometry & MOs

Info

ID:	133096
PubChem CID:	51476828
Reduced:	SN3O6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	230.212004
ΔH_f, kcal/mol:	-183.52
Dipole, Da:	2.96
IP(EA), eV:	-8.76(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl-[(2R)-2-hydroxy-3-[(1S,2S)-2-methylcyclopentyl]oxypropyl]azanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3=C(C=CC=C3OC)OC)N)C

DOS

IR

Vibrations