Geometry & MOs

Info

ID:	270846
PubChem CID:	103638412
Reduced:	BrClN2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	275.11217
ΔH_f, kcal/mol:	-115.46
Dipole, Da:	3.99
IP(EA), eV:	-10.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethylphenyl)methyl]-2,3-difluorobenzamide

Drug info:

PubChemData

Smile

CCCC(C)(C(=O)OC)NC(=O)C1=C(N=CC(=C1)Br)Cl

DOS

IR

Vibrations