Geometry & MOs

Info

ID:	370876
PubChem CID:	127341193
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	11.25
Dipole, Da:	5.98
IP(EA), eV:	-9.37(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(azepan-1-yl)-2-oxoethyl]-3-ethylpiperazin-2-one

Drug info:

PubChemData

Smile

CCC1C(=O)NCCN1CC2=NN=C(N2C)C3CC3

DOS

IR

Vibrations