Geometry & MOs

Info

ID:	137321
PubChem CID:	52189865
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-11.8
Dipole, Da:	7.74
IP(EA), eV:	-8.75(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(CC1=CC=CS1)C(=O)NC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations