Geometry & MOs

Info

ID:	255656
PubChem CID:	103133814
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	248.007805
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	5.27
IP(EA), eV:	-9.67(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanone

Drug info:

PubChemData

Smile

CC(C)CC1(CCCC1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations