Geometry & MOs

Info

ID:	387513
PubChem CID:	134985655
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	308.086918
ΔH_f, kcal/mol:	47.84
Dipole, Da:	4.82
IP(EA), eV:	-9.84(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-3-azidobutan-2-yl]-3,5-dinitrobenzamide

Drug info:

PubChemData

Smile

CCC(CN=[N+]=[N-])C(=O)C1=CC=CC=C1

DOS

IR

Vibrations