Geometry & MOs

Info

ID:	88829
PubChem CID:	49957051
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	434.200571
ΔH_f, kcal/mol:	-90.22
Dipole, Da:	8.61
IP(EA), eV:	-9.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-butan-2-ylphenoxy)propanoylamino]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCCCCC2)OC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations