Geometry & MOs

Info

ID:	255618
PubChem CID:	103133431
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	-101.61
Dipole, Da:	1.37
IP(EA), eV:	-8.88(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(1-methylpyrazol-3-yl)-2-piperazin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=CC=C2Cl)CNCC(C)C

DOS

IR

Vibrations