Geometry & MOs

Info

ID:	352026
PubChem CID:	127282944
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	8.52
IP(EA), eV:	-8.8(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)O)C

DOS

IR

Vibrations