Geometry & MOs

Info

ID:	194487
PubChem CID:	78544230
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	376.082599
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	4.2
IP(EA), eV:	-9.58(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl] 2-methyl-3-nitrobenzoate

Drug info:

PubChemData

Smile

CC(CNC(=O)COC(=O)C=CC1=CC=CC=C1[N+](=O)[O-])C2=CC=CC=C2

DOS

IR

Vibrations