Geometry & MOs

Info

ID:	226741
PubChem CID:	87558003
Reduced:	O2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	468.217971
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.59
IP(EA), eV:	-10.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-chloro-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-[4-methoxy-2-(4-methylpiperazin-1-yl)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCC=C.C=CC(=O)O

DOS

IR

Vibrations