Geometry & MOs

Info

ID:	245761
PubChem CID:	103023847
Reduced:	NOC6H10 (2)
Stoich.:	ABC6D10 (2)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-65.6
Dipole, Da:	2.73
IP(EA), eV:	-9.38(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-4-yl)-1-pyrrolidin-3-ylbutan-2-one

Drug info:

PubChemData

Smile

CC(CCC(=O)CCC1=CN(N=C1)C)OC

DOS

IR

Vibrations