Geometry & MOs

Info

ID:	41857
PubChem CID:	8147344
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	352.248784
ΔH_f, kcal/mol:	47.49
Dipole, Da:	6.29
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-[(2R)-2-ethylhexyl]azanium

Drug info:

PubChemData

Smile

C1CC1[C@H]2C3=C(CCN2CC4=NC(=O)C5=CC=CC=C5N4)SC=C3

DOS

IR

Vibrations