Geometry & MOs

Info

ID:	193796
PubChem CID:	78438878
Reduced:	N3O6C9H14 (1)
Stoich.:	A3B6C9D14 (1)
Weight, g/mol:	280.191269
ΔH_f, kcal/mol:	-212.0
Dipole, Da:	21.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.805973
Charge, e:	1

Chem-info

IUPAC name:

[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-(1-hydroxy-2-methylpropan-2-yl)azanium

Drug info:

PubChemData

Smile

C(CC(=O)[O-])C(C(=O)NCC(=O)[O-])NC(=O)C[NH3+]

DOS

IR

Vibrations