Geometry & MOs

Info

ID:	197442
PubChem CID:	78965661
Reduced:	OCl2N3H9C14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	247.132077
ΔH_f, kcal/mol:	26.45
Dipole, Da:	5.05
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-cyanophenyl)-3-propoxypropanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)N)NC(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations