Geometry & MOs

Info

ID:	239148
PubChem CID:	93166056
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-106.4
Dipole, Da:	1.33
IP(EA), eV:	-8.19(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations