Geometry & MOs

Info

ID:	272617
PubChem CID:	103750155
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	312.93838
ΔH_f, kcal/mol:	-185.09
Dipole, Da:	2.46
IP(EA), eV:	-9.6(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[1-(trifluoromethyl)cyclopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(C(=O)OCC1=CC=CC=C1)C(COC)(C2CC2)C(=O)O

DOS

IR

Vibrations