Geometry & MOs

Info

ID:	389954
PubChem CID:	134996235
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	270.040734
ΔH_f, kcal/mol:	-47.1
Dipole, Da:	7.02
IP(EA), eV:	-8.57(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-(3-chloroanilino)-2-nitroprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N1CC(N(C2=CC=CC=C21)C(=O)C)C=C

DOS

IR

Vibrations