Geometry & MOs

Info

ID:	232415
PubChem CID:	87576148
Reduced:	BrN4O4C22H29 (1)
Stoich.:	AB4C4D22E29 (1)
Weight, g/mol:	282.085186
ΔH_f, kcal/mol:	-143.41
Dipole, Da:	8.4
IP(EA), eV:	-8.54(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-5-methoxy-6-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CCC1=C2C(=CN=C1Br)N(C=C(C2=O)C(=O)O)C3CCCN(C3)CCN4CCOCC4

DOS

IR

Vibrations