Geometry & MOs

Info

ID:	84294
PubChem CID:	49865367
Reduced:	NSeO4H13C20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	448.139862
ΔH_f, kcal/mol:	-72.46
Dipole, Da:	8.81
IP(EA), eV:	-8.82(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[8-[3-(trifluoromethoxy)phenyl]quinolin-6-yl]methoxy]phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC3=C(C=C2)/C(=C/C4=CC=C([Se]4)C(=O)O)/C(=O)N3)O

DOS

IR

Vibrations