Geometry & MOs

Info

ID:	133236
PubChem CID:	51496633
Reduced:	NO5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	406.201833
ΔH_f, kcal/mol:	-150.61
Dipole, Da:	3.67
IP(EA), eV:	-8.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,3-benzodioxol-5-ylmethyl-[(2R)-2-hydroxypropyl]-[[3-(4-methoxyphenyl)phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](CN(CC1=CC(=C(C=C1)OC)O)CC2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations