Geometry & MOs

Info

ID:	368271
PubChem CID:	127327845
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	32.4
Dipole, Da:	5.93
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations