Geometry & MOs

Info

ID:	211600
PubChem CID:	81044533
Reduced:	ON3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	-81.56
Dipole, Da:	2.63
IP(EA), eV:	-8.57(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(C(C1)(C)C)C)C2CCCNC2

DOS

IR

Vibrations