Geometry & MOs

Info

ID:	306409
PubChem CID:	125011616
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	7.56
IP(EA), eV:	-9.12(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[(2S)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1C(=O)CCC2=C(N3C(=CC(=N3)[C@H]4CCN(C4)C(=O)C5CC5)N=C2C)C

DOS

IR

Vibrations