Geometry & MOs

Info

ID:	245804
PubChem CID:	103024007
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	3.64
Dipole, Da:	1.04
IP(EA), eV:	-9.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(2-methylpyrazol-3-yl)-4-piperazin-1-ylpentan-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations