Geometry & MOs

Info

ID:	138994
PubChem CID:	52456400
Reduced:	NO3C16H34 (1)
Stoich.:	AB3C16D34 (1)
Weight, g/mol:	287.246044
ΔH_f, kcal/mol:	-151.48
Dipole, Da:	2.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753894
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[bis(2-methylpropyl)amino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)C[NH+](C[C@@H](COC[C@@H]1CCCO1)O)CC(C)C

DOS

IR

Vibrations