Geometry & MOs

Info

ID:	322246
PubChem CID:	126669534
Reduced:	N2O3C15H16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	439.129884
ΔH_f, kcal/mol:	-68.88
Dipole, Da:	2.76
IP(EA), eV:	-9.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(5-chloro-2-ethoxyphenyl)carbamoylamino]methyl]phenoxy]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)OC2=CC=CC=C2CN

DOS

IR

Vibrations