Geometry & MOs

Info

ID:	278872
PubChem CID:	103839280
Reduced:	BrNO2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	301.108977
ΔH_f, kcal/mol:	-28.35
Dipole, Da:	3.69
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclopropylcyclopropyl)methyl]-4-fluoro-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC2(CC2)C3CC3)Br

DOS

IR

Vibrations