Geometry & MOs

Info

ID:	32575
PubChem CID:	7845825
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	417.113171
ΔH_f, kcal/mol:	-85.95
Dipole, Da:	3.1
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenoxy)ethyl 3-methyl-2-phenylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations