Geometry & MOs

Info

ID:	355392
PubChem CID:	127288455
Reduced:	O2N5C17H31 (1)
Stoich.:	A2B5C17D31 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	5.43
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN=C(O1)C(C)N2CCN(CC2)CC3CN(CCO3)C(C)C

DOS

IR

Vibrations