Geometry & MOs

Info

ID:	330303
PubChem CID:	127247290
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	4.87
IP(EA), eV:	-8.99(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1H-pyrazol-5-yl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyridin-4-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CC2)C(=O)N3CCCCC3C4=CC=NN4

DOS

IR

Vibrations