Geometry & MOs

Info

ID:	240806
PubChem CID:	93617642
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	2.45
IP(EA), eV:	-9.55(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[2-(4-pyrazol-1-ylphenyl)acetyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC[C@@H]2CCCO2

DOS

IR

Vibrations