Geometry & MOs

Info

ID:	312120
PubChem CID:	126603300
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	399.220972
ΔH_f, kcal/mol:	-8.11
Dipole, Da:	2.01
IP(EA), eV:	-8.49(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-butoxy-2-butyl-7-fluoro-6-methyl-1,3-dihydroisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=C(ON=C1OCC2=CC=CC=C2)[C@H](C=C)N3CCC3)C4=C(C=CO4)OC

DOS

IR

Vibrations