Geometry & MOs

Info

ID:	14436
PubChem CID:	411312
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-77.75
Dipole, Da:	3.05
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(1,3-benzodioxol-5-yl)-2-phenylethyl]amino]propan-2-ol

Drug info:

PubChemData

Smile

CC(CNC(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3)O

DOS

IR

Vibrations