Geometry & MOs

Info

ID:	368594
PubChem CID:	127329603
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	267.194677
ΔH_f, kcal/mol:	-24.47
Dipole, Da:	8.76
IP(EA), eV:	-8.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethylazepan-1-yl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCC1CCCN(CC1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations