Geometry & MOs

Info

ID:	32469
PubChem CID:	7837591
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-125.56
Dipole, Da:	6.85
IP(EA), eV:	-9.5(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-oxocyclohexyl] 4-(benzylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1COC(=O)[C@H]1OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations