Geometry & MOs

Info

ID:	226586
PubChem CID:	87544251
Reduced:	NO2C12H21 (1)
Stoich.:	AB2C12D21 (1)
Weight, g/mol:	223.070539
ΔH_f, kcal/mol:	-109.59
Dipole, Da:	6.41
IP(EA), eV:	-9.41(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitro-2,1,3-benzoxadiazol-7-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C/C=C/[C@]1(CCCN1C(=O)O)C(C)(C)C

DOS

IR

Vibrations