Geometry & MOs

Info

ID:	32470
PubChem CID:	7837592
Reduced:	N2O5C20H20 (1)
Stoich.:	A2B5C20D20 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	7.68
IP(EA), eV:	-9.3(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 4-(benzylamino)-3-nitrobenzoate

Drug info:

PubChemData

Smile

C1CCC(=O)[C@@H](C1)OC(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations