Geometry & MOs

Info

ID:	239155
PubChem CID:	93166064
Reduced:	NO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	-111.58
Dipole, Da:	1.41
IP(EA), eV:	-8.18(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(2,3-dimethoxyphenyl)methyl-(2-methylpropyl)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