Geometry & MOs

Info

ID:	347643
PubChem CID:	127272509
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-50.79
Dipole, Da:	6.61
IP(EA), eV:	-8.73(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)N3CCC(=CC3)C4=CNC5=C4C=CC=N5)O)C

DOS

IR

Vibrations