Geometry & MOs

Info

ID:	226980
PubChem CID:	87559365
Reduced:	ClN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	221.103153
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	4.71
IP(EA), eV:	-9.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CON=C(C)C2=CC(=C(C=C2)Cl)CCOC(=O)N

DOS

IR

Vibrations