Geometry & MOs

Info

ID:	353686
PubChem CID:	127285263
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	253.179027
ΔH_f, kcal/mol:	-70.75
Dipole, Da:	7.48
IP(EA), eV:	-8.94(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1CC(=O)N(C2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations