Geometry & MOs

Info

ID:	417886
PubChem CID:	135102983
Reduced:	O2N3C25H29 (1)
Stoich.:	A2B3C25D29 (1)
Weight, g/mol:	268.109089
ΔH_f, kcal/mol:	-12.19
Dipole, Da:	3.6
IP(EA), eV:	-8.27(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CC=C(O2)CN3CCCC4(C3)CCC5=CN=C(N=C45)C

DOS

IR

Vibrations