Geometry & MOs

Info

ID:	58920
PubChem CID:	24716225
Reduced:	N2O5C16H22 (1)
Stoich.:	A2B5C16D22 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-177.47
Dipole, Da:	4.23
IP(EA), eV:	-8.33(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)N(CCN1C(=O)COC)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations