Geometry & MOs

Info

ID:	330105
PubChem CID:	127247092
Reduced:	FO2N3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	2.2
IP(EA), eV:	-9.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCC(C2)C3=CC=NN3)F

DOS

IR

Vibrations