Geometry & MOs

Info

ID:	342272
PubChem CID:	127265049
Reduced:	N2O3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	344.213364
ΔH_f, kcal/mol:	-86.45
Dipole, Da:	5.93
IP(EA), eV:	-9.12(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(3,4,4-trimethylpent-2-enoyl)piperidin-3-yl]methyl]propane-2-sulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(=O)N2CCC(CC2)NC(=O)C=CC3CC3

DOS

IR

Vibrations