Geometry & MOs

Info

ID:	214846
PubChem CID:	85083736
Reduced:	BrO4N5C31H36 (1)
Stoich.:	AB4C5D31E36 (1)
Weight, g/mol:	622.256668
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	7.55
IP(EA), eV:	-8.25(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-1-[4-[4-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(=NOCC1=CC=CC=C1)C2=CC=C(C=C2)NC3=NC=NC4=CC(=C(C=C43)OCCCN5CCOCC5)OC.Br

DOS

IR

Vibrations