Geometry & MOs

Info

ID:	35660
PubChem CID:	7980164
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	9.33
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C(=C2)C)C)[N+](=O)[O-]

DOS

IR

Vibrations