Geometry & MOs

Info

ID:	422576
PubChem CID:	135118066
Reduced:	NO3C23H33 (1)
Stoich.:	AB3C23D33 (1)
Weight, g/mol:	288.195011
ΔH_f, kcal/mol:	-155.16
Dipole, Da:	2.39
IP(EA), eV:	-9.18(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)C3(CCCCC3)C4=CC=CC=C4)O

DOS

IR

Vibrations