Geometry & MOs

Info

ID:	74239
PubChem CID:	48421621
Reduced:	NO2C19H27 (1)
Stoich.:	AB2C19D27 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-69.76
Dipole, Da:	2.68
IP(EA), eV:	-9.26(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-(4-acetylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)OCC3CC3

DOS

IR

Vibrations