Geometry & MOs

Info

ID:	77922
PubChem CID:	49674655
Reduced:	O3N4C26H28 (1)
Stoich.:	A3B4C26D28 (1)
Weight, g/mol:	448.166604
ΔH_f, kcal/mol:	-35.34
Dipole, Da:	4.82
IP(EA), eV:	-8.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-1-(3-cyano-6-ethylquinolin-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C(=CN=C2C=C1)C#N)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations