Geometry & MOs

Info

ID:	56152
PubChem CID:	17422253
Reduced:	SO2N3C23H31 (1)
Stoich.:	AB2C3D23E31 (1)
Weight, g/mol:	304.121178
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	3.46
IP(EA), eV:	-8.88(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(azetidine-1-carbonyl)-1H-quinolin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NCC3(CCCCC3)N4CCOCC4

DOS

IR

Vibrations