Geometry & MOs

Info

ID:	436775
PubChem CID:	135211382
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	403.214744
ΔH_f, kcal/mol:	-130.75
Dipole, Da:	7.69
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-8-(3-piperidin-1-ylpropoxy)naphtho[3,2-b][1]benzofuran-11-one

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(C2)(C)OC[C@@H](CO)O)C(=O)C3=C1NC4=CC=CC=C43)C

DOS

IR

Vibrations