Geometry & MOs

Info

ID:	59480
PubChem CID:	24875034
Reduced:	O3N5C29H31 (1)
Stoich.:	A3B5C29D31 (1)
Weight, g/mol:	519.176976
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	4.1
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxy-3-methylphenyl)-3-(3-pyridin-3-ylphenyl)isoindol-1-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)NCC2=NN(C=C2)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations