Geometry & MOs

Info

ID:	436782
PubChem CID:	135211422
Reduced:	NO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	5.4
IP(EA), eV:	-8.78(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[2-[(6,6,8-trimethyl-11-oxo-7H-naphtho[3,2-b][1]benzofuran-8-yl)oxy]ethyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)(C)C3=C(C=CC(=CC3)OCCN4CCN(CC4)C(=O)C)C=O

DOS

IR

Vibrations