Geometry & MOs

Info

ID:	186710
PubChem CID:	77471928
Reduced:	O2N5C28H31 (1)
Stoich.:	A2B5C28D31 (1)
Weight, g/mol:	296.087101
ΔH_f, kcal/mol:	57.22
Dipole, Da:	5.72
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethoxyphenyl)ethenyl]-1-benzothiophene

Drug info:

PubChemData

Smile

COC1=CC=C(CC1)N2C=C(C3=C2C=C(C=C3)C4CNNC4)C(=O)N(CC5=CN=CC=C5)C6CC6

DOS

IR

Vibrations