Geometry & MOs

Info

ID:	209508
PubChem CID:	80682196
Reduced:	ClN3C16H20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	236.163711
ΔH_f, kcal/mol:	51.82
Dipole, Da:	2.49
IP(EA), eV:	-9.08(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC2CC(C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations