Geometry & MOs

Info

ID:	209509
PubChem CID:	80682197
Reduced:	ON4C12H20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	5.99
IP(EA), eV:	-9.2(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC(=O)CC2CCCN2

DOS

IR

Vibrations