Geometry & MOs

Info

ID:	368232
PubChem CID:	127327783
Reduced:	O3N4C18H22 (1)
Stoich.:	A3B4C18D22 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	4.91
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations