Geometry & MOs

Info

ID:	305896
PubChem CID:	124973583
Reduced:	ON3C19H23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	-1.03
Dipole, Da:	1.94
IP(EA), eV:	-9.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CC3=NC=CN3C[C@H]2C4=CC=CC=C4

DOS

IR

Vibrations