Geometry & MOs

Info

ID:	64890
PubChem CID:	29204156
Reduced:	N3O5C17H21 (1)
Stoich.:	A3B5C17D21 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-122.1
Dipole, Da:	7.2
IP(EA), eV:	-9.76(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]-6-nitro-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C

DOS

IR

Vibrations