Geometry & MOs

Info

ID:	359789
PubChem CID:	127299833
Reduced:	ClON5C20H32 (1)
Stoich.:	ABC5D20E32 (1)
Weight, g/mol:	394.24811
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	5.5
IP(EA), eV:	-8.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(C)CNC2=C(C=C(C=N2)C(=O)N3CCCCC3)Cl

DOS

IR

Vibrations