Geometry & MOs

Info

ID:	201493
PubChem CID:	79545893
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-132.16
Dipole, Da:	2.54
IP(EA), eV:	-9.45(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CCCCNC(=O)N1CCCC1CC(C)O

DOS

IR

Vibrations