Geometry & MOs

Info

ID:	37111
PubChem CID:	8017006
Reduced:	NO3C21H34 (1)
Stoich.:	AB3C21D34 (1)
Weight, g/mol:	311.209658
ΔH_f, kcal/mol:	-96.13
Dipole, Da:	2.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.817733
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(3,4-dimethoxyphenyl)methoxy]-3-(3-methylbutylamino)propan-2-ol

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OC[C@H](C[NH2+]C2CCCCCCC2)O)OC

DOS

IR

Vibrations