Geometry & MOs

Info

ID:	209881
PubChem CID:	80734067
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	374.94995
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	4.18
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-5-thieno[3,2-b]thiophen-5-yl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CCCNCC1=CC(=C(S1)C)COC2=C(N=CC=C2)C

DOS

IR

Vibrations