Geometry & MOs

Info

ID:	25956
PubChem CID:	634947
Reduced:	NH15C16 (2)
Stoich.:	AB15C16 (2)
Weight, g/mol:	631.190575
ΔH_f, kcal/mol:	141.86
Dipole, Da:	2.91
IP(EA), eV:	-8.61(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[3,4-bis(trifluoromethyl)phenoxy]-6-methoxy-4-methylquinolin-8-yl]amino]pentyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N=C2C3=CC=CC=C(C3)C4=CC=CC=C(C4)C2=NC5=C(C=CC=C5C)C

DOS

IR

Vibrations