Geometry & MOs

Info

ID:	347460
PubChem CID:	127272309
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	385.182398
ΔH_f, kcal/mol:	-100.3
Dipole, Da:	4.05
IP(EA), eV:	-9.5(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-phenyloxan-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations