Geometry & MOs

Info

ID:	74273
PubChem CID:	48421664
Reduced:	NO2C8H13 (2)
Stoich.:	AB2C8D13 (2)
Weight, g/mol:	316.178693
ΔH_f, kcal/mol:	-163.75
Dipole, Da:	1.53
IP(EA), eV:	-9.15(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzoylpiperazin-1-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2CCCO2)OCC3CC3

DOS

IR

Vibrations