Geometry & MOs

Info

ID:	275573
PubChem CID:	103816637
Reduced:	BrN2O2F3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	365.02383
ΔH_f, kcal/mol:	-225.15
Dipole, Da:	4.6
IP(EA), eV:	-9.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-(cyclopropylmethoxy)ethyl]-5-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(CC1C(=O)N)C(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

DOS

IR

Vibrations