Geometry & MOs

Info

ID:	34221
PubChem CID:	7890372
Reduced:	N3O5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	403.093498
ΔH_f, kcal/mol:	-121.87
Dipole, Da:	7.49
IP(EA), eV:	-9.92(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxoethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations