Geometry & MOs

Info

ID:	275577
PubChem CID:	103816651
Reduced:	BrNOSF3C14H15 (1)
Stoich.:	ABCDE3F14G15 (1)
Weight, g/mol:	349.02891
ΔH_f, kcal/mol:	-194.4
Dipole, Da:	5.38
IP(EA), eV:	-8.74(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(1-methylcyclobutyl)methyl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations