Geometry & MOs

Info

ID:	194450
PubChem CID:	78539007
Reduced:	O2N5C19H21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	412.022892
ΔH_f, kcal/mol:	32.77
Dipole, Da:	4.56
IP(EA), eV:	-8.96(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)N3C=NN=N3

DOS

IR

Vibrations