Geometry & MOs

Info

ID:	245437
PubChem CID:	99444784
Reduced:	N2O5H22C23 (1)
Stoich.:	A2B5C22D23 (1)
Weight, g/mol:	379.05832
ΔH_f, kcal/mol:	-37.06
Dipole, Da:	4.85
IP(EA), eV:	-9.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4-fluorophenoxy)-N-(2,4-dimethylphenyl)-N-ethylacetamide

Drug info:

PubChemData

Smile

C1C[C@H](C2=CC=CC=C2C1)N(C3CC3)C(=O)/C=C/C4=CC5=C(C=C4[N+](=O)[O-])OCO5

DOS

IR

Vibrations