Geometry & MOs

Info

ID:	305771
PubChem CID:	124968804
Reduced:	ON5C17H17 (1)
Stoich.:	AB5C17D17 (1)
Weight, g/mol:	324.195011
ΔH_f, kcal/mol:	41.08
Dipole, Da:	6.33
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)[C@@H]2CCN(C2)C(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations