Geometry & MOs

Info

ID:	358706
PubChem CID:	127296496
Reduced:	O2N3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-115.96
Dipole, Da:	4.34
IP(EA), eV:	-9.28(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylidenepiperidin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C=C1CCN(CC1)CC(=O)NC2CCN(CC2)C(=O)C3CCCCC3

DOS

IR

Vibrations