Geometry & MOs

Info

ID:	448619
PubChem CID:	135292298
Reduced:	ON5C32H41 (1)
Stoich.:	AB5C32D41 (1)
Weight, g/mol:	449.221561
ΔH_f, kcal/mol:	98.51
Dipole, Da:	7.9
IP(EA), eV:	-8.88(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-6-cyclopropyl-5-(2-ethenylquinolin-4-yl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C/C=C(\C=C(\C=C)/N=C)/C1=C(N=C(C(=C1C)C#N)N2CCN([C@@H](C2)C3CC3)C(=O)CCC4CCC4)C5CC5

DOS

IR

Vibrations