Geometry & MOs

Info

ID:	209882
PubChem CID:	80734169
Reduced:	BrS2N3H10C15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	287.080242
ΔH_f, kcal/mol:	115.91
Dipole, Da:	2.81
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

thieno[3,2-b]thiophen-5-yl-(2,4,6-trimethylphenyl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(NN=C2N)C3=CC4=C(S3)C=CS4)Br

DOS

IR

Vibrations