Geometry & MOs

Info

ID:	126131
PubChem CID:	50952985
Reduced:	O3N4C19H22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	-3.08
Dipole, Da:	4.82
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-ol

Drug info:

PubChemData

Smile

CCN(CC1=NOC(=N1)C2CC2)C(=O)C3=CC4=C(N3C)C=C(C=C4)OC

DOS

IR

Vibrations