Geometry & MOs

Info

ID:	296069
PubChem CID:	117554445
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	202.131742
ΔH_f, kcal/mol:	-14.81
Dipole, Da:	2.62
IP(EA), eV:	-8.81(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-dihydroxypropan-2-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=C(NC(=N2)C(=O)N)C

DOS

IR

Vibrations