Geometry & MOs

Info

ID:	59407
PubChem CID:	24855573
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	348.03611
ΔH_f, kcal/mol:	9.15
Dipole, Da:	4.58
IP(EA), eV:	-9.27(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2,3-dimethoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

Drug info:

PubChemData

Smile

CCOC1=C2C=CC(=CC2=CN=N1)C3=C(C=CC(=C3)C(=O)NC4CC4)C

DOS

IR

Vibrations