Geometry & MOs

Info

ID:	60000
PubChem CID:	26663016
Reduced:	N2O5C19H20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-83.2
Dipole, Da:	7.43
IP(EA), eV:	-9.49(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-nitro-N-[(2S)-2-phenylbutyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C3=CC=CC=C3

DOS

IR

Vibrations