Geometry & MOs

Info

ID:	293024
PubChem CID:	117370549
Reduced:	O2N3C13H17 (1)
Stoich.:	A2B3C13D17 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	-33.14
Dipole, Da:	2.69
IP(EA), eV:	-8.68(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-aminoacetyl)phenyl]-4-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)O)OC)C2=CC(=NN2)N

DOS

IR

Vibrations