Geometry & MOs

Info

ID:	305599
PubChem CID:	124961705
Reduced:	ClO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	11.52
Dipole, Da:	6.14
IP(EA), eV:	-9.36(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-quinolin-6-ylmethanone

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=NC=C(O2)CC3=CC=CC=C3Cl)C(=O)C4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations