Geometry & MOs

Info

ID:	129435
PubChem CID:	51072580
Reduced:	ClON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	4.53
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methoxy-4-(3-methylbutoxy)benzoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C(=O)CCC2=CC=CC=C2Cl

DOS

IR

Vibrations