Geometry & MOs

Info

ID:	306014
PubChem CID:	125000248
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	3.49
IP(EA), eV:	-8.47(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-[2-(dimethylamino)pyridin-4-yl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCC[C@H](C2)C3=NC(=CN3C)C

DOS

IR

Vibrations