Geometry & MOs

Info

ID:	59460
PubChem CID:	24874980
Reduced:	O3N6C28H30 (1)
Stoich.:	A3B6C28D30 (1)
Weight, g/mol:	533.156241
ΔH_f, kcal/mol:	-32.8
Dipole, Da:	4.9
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-pyridin-3-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=CN(N=N2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations