Geometry & MOs

Info

ID:	244135
PubChem CID:	99319091
Reduced:	F2N3O3H21C22 (1)
Stoich.:	A2B3C3D21E22 (1)
Weight, g/mol:	376.159849
ΔH_f, kcal/mol:	-142.84
Dipole, Da:	2.43
IP(EA), eV:	-9.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(3,5-dimethylphenoxy)propanoylamino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)/C=C/C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations