Geometry & MOs

Info

ID:	297048
PubChem CID:	117607106
Reduced:	ClNOC8H8 (2)
Stoich.:	ABCD8E8 (2)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	-56.35
Dipole, Da:	5.69
IP(EA), eV:	-9.56(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-prop-2-enoyl-N-quinolin-4-ylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)N1CC2CN(CC2C1)C(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations