Geometry & MOs

Info

ID:	159205
PubChem CID:	57264376
Reduced:	FN3O3H20C27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	307.178358
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	2.0
IP(EA), eV:	-8.62(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2-(2-benzyl-1,4-dioxan-2-yl)ethylamino]propanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)NC2=NC=C(C=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C5N3

DOS

IR

Vibrations