Geometry & MOs

Info

ID:	325241
PubChem CID:	126682248
Reduced:	ON2C25H32 (1)
Stoich.:	AB2C25D32 (1)
Weight, g/mol:	416.04456
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	3.38
IP(EA), eV:	-8.85(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-methylphenyl)-dimethoxymethyl]-5-(4-methylphenyl)thiophene

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N(C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations