Geometry & MOs

Info

ID:	59482
PubChem CID:	24875042
Reduced:	F3O3N4H23C28 (1)
Stoich.:	A3B3C4D23E28 (1)
Weight, g/mol:	406.179361
ΔH_f, kcal/mol:	-154.41
Dipole, Da:	11.04
IP(EA), eV:	-9.07(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-methylphenyl)-3-(3-pyrimidin-5-ylphenyl)isoindol-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3C(=N2)N)C4=CC=CC(=C4)C5=CN=CN=C5)OC.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations