Geometry & MOs

Info

ID:	272618
PubChem CID:	103750196
Reduced:	BrNOSF3H7C9 (1)
Stoich.:	ABCDE3F7G9 (1)
Weight, g/mol:	268.082347
ΔH_f, kcal/mol:	-149.9
Dipole, Da:	4.73
IP(EA), eV:	-9.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenyl)-N-[1-(trifluoromethyl)cyclopropyl]acetamide

Drug info:

PubChemData

Smile

C1CC1(C(F)(F)F)NC(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations