Geometry & MOs

Info

ID:	290293
PubChem CID:	104426470
Reduced:	ClFN3O4C12H15 (1)
Stoich.:	ABC3D4E12F15 (1)
Weight, g/mol:	368.03472
ΔH_f, kcal/mol:	-136.91
Dipole, Da:	6.25
IP(EA), eV:	-9.2(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-bromo-4-(trifluoromethyl)anilino]-N-(2-methoxyethyl)propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=CC(=C(C=C1[N+](=O)[O-])Cl)F

DOS

IR

Vibrations