Geometry & MOs

Info

ID:	330084
PubChem CID:	127247071
Reduced:	N4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	59.95
Dipole, Da:	1.91
IP(EA), eV:	-8.68(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C=CC=C1CN2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations