Geometry & MOs

Info

ID:	397024
PubChem CID:	135029616
Reduced:	SN6H10C11 (1)
Stoich.:	AB6C10D11 (1)
Weight, g/mol:	374.136553
ΔH_f, kcal/mol:	156.48
Dipole, Da:	3.97
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dimethoxyphenyl)-1-(2-hydroxy-3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C=C2)C3=NNC(=S)N3N

DOS

IR

Vibrations