Geometry & MOs

Info

ID:	275572
PubChem CID:	103816633
Reduced:	BrNO2F3C14H17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	364.00342
ΔH_f, kcal/mol:	-239.72
Dipole, Da:	4.69
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-5-(trifluoromethyl)benzoyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COCCCCCNC(=O)C1=C(C=CC(=C1)C(F)(F)F)Br

DOS

IR

Vibrations