Geometry & MOs

Info

ID:	333196
PubChem CID:	127251744
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-34.75
Dipole, Da:	5.15
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyrrolidin-3-yl]-N-(1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=NNC(=C1)C2CCN(C2)CC3=CC=C(C=C3)OC4CCCC4

DOS

IR

Vibrations