Geometry & MOs

Info

ID:	218238
PubChem CID:	85089073
Reduced:	F2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	441.177645
ΔH_f, kcal/mol:	-174.39
Dipole, Da:	7.91
IP(EA), eV:	-9.09(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(2-piperazin-1-ylethyl)-4-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC(NN1)C(=O)NCC2=CC=CC=C2)NC(=O)CC3=CC(=CC(=C3)F)F

DOS

IR

Vibrations