Geometry & MOs

Info

ID:	306334
PubChem CID:	125003806
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	346.157581
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	5.56
IP(EA), eV:	-9.13(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CCC2=C(N3C(=CC(=N3)[C@H]4CCN(C4)C(=O)C5CC5)N=C2C)C

DOS

IR

Vibrations