Geometry & MOs

Info

ID:	187249
PubChem CID:	77551089
Reduced:	ClFN5O5C28H29 (1)
Stoich.:	ABC5D5E28F29 (1)
Weight, g/mol:	491.220892
ΔH_f, kcal/mol:	-117.81
Dipole, Da:	8.25
IP(EA), eV:	-9.09(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxoazepan-3-yl)-2-phenoxy-N-[(4-pyridin-3-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=NN=NN1CCCC2C3=CC=CN3C4=C(C=C(C=C4F)Cl)C(O2)C5=C(C(=CC=C5)OC)OC

DOS

IR

Vibrations