Geometry & MOs

Info

ID:	239150
PubChem CID:	93166058
Reduced:	NO4C17H27 (1)
Stoich.:	AB4C17D27 (1)
Weight, g/mol:	293.199094
ΔH_f, kcal/mol:	-129.26
Dipole, Da:	3.4
IP(EA), eV:	-8.12(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[(3,4-dimethoxyphenyl)methyl-propan-2-ylamino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations