Geometry & MOs

Info

ID:	239173
PubChem CID:	93166085
Reduced:	NO3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	311.188529
ΔH_f, kcal/mol:	-99.23
Dipole, Da:	4.09
IP(EA), eV:	-8.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[benzyl-[(3-methoxyphenyl)methyl]amino]-2-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations