Geometry & MOs

Info

ID:	239961
PubChem CID:	93374004
Reduced:	ON5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	264.195011
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	3.59
IP(EA), eV:	-9.39(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-butan-2-yl]amino]-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)N1CCC[C@H](C1)C2=NN=CN2C)N

DOS

IR

Vibrations