Geometry & MOs

Info

ID:	323152
PubChem CID:	126673023
Reduced:	ClN3O4H16C20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	271.98705
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	7.23
IP(EA), eV:	-9.0(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4,5-dimethylthiophen-3-yl)-2-cyclopropylethanone

Drug info:

PubChemData

Smile

CN1C=C(C(=CC1=O)/C=C/C(=O)O)C2=C(N(N=C2)C)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations