Geometry & MOs

Info

ID:	194768
PubChem CID:	78587900
Reduced:	N2O6C15H16 (1)
Stoich.:	A2B6C15D16 (1)
Weight, g/mol:	298.035649
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	3.29
IP(EA), eV:	-9.0(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-nitroanilino)-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NNC(=O)C1COC2=CC=CC=C2O1

DOS

IR

Vibrations