Geometry & MOs

Info

ID:	269569
PubChem CID:	103617990
Reduced:	BrClON3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	385.01505
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	5.61
IP(EA), eV:	-9.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide

Drug info:

PubChemData

Smile

C1CC(C(C1)N2C=CN=C2)NC(=O)C3=C(C=CC(=C3)Cl)Br

DOS

IR

Vibrations