Geometry & MOs

Info

ID:	246274
PubChem CID:	103059026
Reduced:	OF2N3H9C11 (1)
Stoich.:	AB2C3D9E11 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-66.89
Dipole, Da:	4.13
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dihydroisoindol-2-ylmethyl)-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1F)F)OCC2=CN=C(C=N2)N

DOS

IR

Vibrations