Geometry & MOs

Info

ID:	268262
PubChem CID:	103598620
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	365.093104
ΔH_f, kcal/mol:	-90.43
Dipole, Da:	5.3
IP(EA), eV:	-8.58(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-3-quinolin-8-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)N3CCCC3=O)Cl

DOS

IR

Vibrations