Geometry & MOs

Info

ID:	239157
PubChem CID:	93166068
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	-104.83
Dipole, Da:	2.32
IP(EA), eV:	-8.64(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-[(2,3-dimethoxyphenyl)methyl-(3-methoxypropyl)amino]butan-2-ol

Drug info:

PubChemData

Smile

CC(C)CN(CC1=C(C(=CC=C1)OC)OC)C[C@](C)(C=C)O

DOS

IR

Vibrations