Geometry & MOs

Info

ID:	436780
PubChem CID:	135211412
Reduced:	F3N3O4H28C30 (1)
Stoich.:	A3B3C4D28E30 (1)
Weight, g/mol:	448.236208
ΔH_f, kcal/mol:	-247.89
Dipole, Da:	9.8
IP(EA), eV:	-8.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(4-acetylpiperazin-1-yl)ethoxy]-3-ethenyl-9,9-dimethyl-2-[(Z)-prop-1-enyl]benzo[f][1]benzofuran-4-one

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC2=C(C=C1)C(=O)C3=C(C2)NC4=C3C=CC(=C4)NC(=O)OC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations