Geometry & MOs

Info

ID:	170993
PubChem CID:	75308614
Reduced:	ClFON2C13H18 (2)
Stoich.:	ABCD2E13F18 (2)
Weight, g/mol:	436.224974
ΔH_f, kcal/mol:	-225.43
Dipole, Da:	6.27
IP(EA), eV:	-9.06(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,4-bis(3-methylbut-2-enoxy)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(C1(C2=CN=CN=C2)O)C)C(=O)C3CN(CC3C4=C(C=C(C=C4)F)F)C(C)(C)C.Cl.Cl

DOS

IR

Vibrations