Geometry & MOs

Info

ID:	360423
PubChem CID:	127301068
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	41.25
Dipole, Da:	3.0
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)C3=C(N=C(C=C3)C4=CSC=C4)C

DOS

IR

Vibrations