Geometry & MOs

Info

ID:	41859
PubChem CID:	8147350
Reduced:	NO4C20H33 (1)
Stoich.:	AB4C20D33 (1)
Weight, g/mol:	351.240959
ΔH_f, kcal/mol:	-174.99
Dipole, Da:	6.17
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2R)-3-[[(2S)-2-ethylhexyl]amino]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CCCC[C@@H](CC)CNC[C@@H](COC1=C(C=C(C=C1)C(=O)C)OC)O

DOS

IR

Vibrations