Geometry & MOs

Info

ID:	356020
PubChem CID:	127291049
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	3.43
IP(EA), eV:	-9.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-3-yl)-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N[C@H]2[C@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations