Geometry & MOs

Info

ID:	330378
PubChem CID:	127247365
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	-20.79
Dipole, Da:	7.38
IP(EA), eV:	-8.85(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations