Geometry & MOs

Info

ID:	347439
PubChem CID:	127272288
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	317.131031
ΔH_f, kcal/mol:	-37.42
Dipole, Da:	4.13
IP(EA), eV:	-9.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations