Geometry & MOs

Info

ID:	82476
PubChem CID:	49856080
Reduced:	OSF3N4C27H29 (1)
Stoich.:	ABC3D4E27F29 (1)
Weight, g/mol:	354.146724
ΔH_f, kcal/mol:	-148.34
Dipole, Da:	3.21
IP(EA), eV:	-9.04(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(2,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C2=CC=CC=C2)C(=O)N3CCC4(CCCC4)CC3CNC5=NC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations