Geometry & MOs

Info

ID:	239161
PubChem CID:	93166072
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	-98.03
Dipole, Da:	3.32
IP(EA), eV:	-8.39(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(3-methylbutyl)amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations