Geometry & MOs

Info

ID:	239154
PubChem CID:	93166063
Reduced:	NO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	321.230394
ΔH_f, kcal/mol:	-112.34
Dipole, Da:	2.09
IP(EA), eV:	-8.23(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations