Geometry & MOs

Info

ID:	194135
PubChem CID:	78489513
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	416.077514
ΔH_f, kcal/mol:	-156.89
Dipole, Da:	7.42
IP(EA), eV:	-9.29(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-nitroanilino)-2-oxoethyl] 3-(4-prop-2-enoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2O

DOS

IR

Vibrations