Geometry & MOs

Info

ID:	448596
PubChem CID:	135292143
Reduced:	OSN6C26H36 (1)
Stoich.:	ABC6D26E36 (1)
Weight, g/mol:	400.201159
ΔH_f, kcal/mol:	76.29
Dipole, Da:	6.95
IP(EA), eV:	-8.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCSN1CCN(CC1)C2=C(N=C(C(=C2)C#N)N3CCN(C(C3)C4CC4)C(=O)C5CC5)C6CC6

DOS

IR

Vibrations