Geometry & MOs

Info

ID:	368333
PubChem CID:	127327926
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-34.07
Dipole, Da:	1.82
IP(EA), eV:	-9.24(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations