Geometry & MOs

Info

ID:	239162
PubChem CID:	93166073
Reduced:	NO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	-112.31
Dipole, Da:	1.74
IP(EA), eV:	-8.76(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations