Geometry & MOs

Info

ID:	239156
PubChem CID:	93166067
Reduced:	NO3C18H29 (1)
Stoich.:	AB3C18D29 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	-105.53
Dipole, Da:	3.7
IP(EA), eV:	-8.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations