Geometry & MOs

Info

ID:	280797
PubChem CID:	103851323
Reduced:	ClON3H14C16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	20.53
Dipole, Da:	3.49
IP(EA), eV:	-8.35(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(2-cyanophenyl)methylamino]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)NCC2=CC=CC=C2C#N)Cl

DOS

IR

Vibrations