Geometry & MOs

Info

ID:	347637
PubChem CID:	127272503
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-139.3
Dipole, Da:	4.97
IP(EA), eV:	-8.79(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCN(CC3)CC(=O)NC4CC4)O)C

DOS

IR

Vibrations