Geometry & MOs

Info

ID:	177972
PubChem CID:	76259082
Reduced:	N2O3H18C21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	481.104063
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	4.24
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=CC=C(C=C2)C=CC(=O)OCC3=CC=CC=N3

DOS

IR

Vibrations