Geometry & MOs

Info

ID:	242646
PubChem CID:	97857724
Reduced:	N2O3C16H22 (1)
Stoich.:	A2B3C16D22 (1)
Weight, g/mol:	279.194677
ΔH_f, kcal/mol:	-127.39
Dipole, Da:	1.3
IP(EA), eV:	-9.52(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]([C@H]1CCCCN1C(=O)CNC(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations