Geometry & MOs

Info

ID:	133235
PubChem CID:	51496544
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	345.157623
ΔH_f, kcal/mol:	-57.41
Dipole, Da:	6.66
IP(EA), eV:	-8.57(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1,3-benzodioxol-5-ylmethyl-[(2S)-2-hydroxypropyl]amino]methyl]-2-methoxyphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NN(C(=O)C(=C2)N)[C@@H](C)C(=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations