Geometry & MOs

Info

ID:	330307
PubChem CID:	127247294
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	17.91
Dipole, Da:	4.3
IP(EA), eV:	-9.16(-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]-(1-methylpyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

CN(CCC(=O)N1CCCCC1C2=CC=NN2)CC3=CC=CC=N3

DOS

IR

Vibrations