Geometry & MOs

Info

ID:	124421
PubChem CID:	50882889
Reduced:	ClOSN5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	255.074287
ΔH_f, kcal/mol:	2.21
Dipole, Da:	3.73
IP(EA), eV:	-8.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,5-dimethoxy-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N1CCN(CC1)C2=C(C=CC3=C2N=C(S3)NN)Cl

DOS

IR

Vibrations