Geometry & MOs

Info

ID:	347646
PubChem CID:	127272512
Reduced:	N3O4C20H23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	388.199822
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	6.59
IP(EA), eV:	-8.51(-0.72)
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-4-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=C(C=C2)C(=O)NC3=NC=C(C=C3)N4CCOCC4)O)C

DOS

IR

Vibrations