Geometry & MOs

Info

ID:	181911
PubChem CID:	76812821
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	57.56
Dipole, Da:	3.34
IP(EA), eV:	-8.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-oxo-7-(2-piperidin-4-ylpiperidin-4-ylidene)-4aH-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C3CCNCC3)C=CC2C=C1C(=O)N=O

DOS

IR

Vibrations