Geometry & MOs

Info

ID:	155555
PubChem CID:	56365891
Reduced:	ClO2N4C27H31 (1)
Stoich.:	AB2C4D27E31 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	-24.13
Dipole, Da:	6.13
IP(EA), eV:	-8.86(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-2-(furan-2-yl)-N-propylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C(=C(C(=N4)C)Cl)C

DOS

IR

Vibrations