Geometry & MOs

Info

ID:	306031
PubChem CID:	125000775
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	32.02
Dipole, Da:	2.89
IP(EA), eV:	-8.41(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=CC(=N1)CC[C@H]2CCCCN2C(=O)C3=NNC4=CC=CC=C43

DOS

IR

Vibrations