Geometry & MOs

Info

ID:	59543
PubChem CID:	24875276
Reduced:	OSN3H17C24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	447.13586
ΔH_f, kcal/mol:	115.34
Dipole, Da:	6.95
IP(EA), eV:	-9.02(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-fluoropyridin-3-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]isoindol-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC2(C3=CC=NC=C3)C4=CC=CC(=C4)C5=C(SC=C5)C=O)N

DOS

IR

Vibrations