Geometry & MOs

Info

ID:	188870
PubChem CID:	77777028
Reduced:	ClON2C24H27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-14.98
Dipole, Da:	3.4
IP(EA), eV:	-9.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chloro-4-[3-(pyrimidin-2-ylamino)piperidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)N.Cl

DOS

IR

Vibrations