Geometry & MOs

Info

ID:	239172
PubChem CID:	93166084
Reduced:	NO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-60.93
Dipole, Da:	3.09
IP(EA), eV:	-8.81(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2,3-dimethoxyphenyl)methyl-propan-2-ylamino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C[C@](CN(CC1=CC=CC=C1)CC2=C(C(=CC=C2)OC)OC)(C=C)O

DOS

IR

Vibrations