Geometry & MOs

Info

ID:	228545
PubChem CID:	87565260
Reduced:	N2O7C16H28 (1)
Stoich.:	A2B7C16D28 (1)
Weight, g/mol:	209.018504
ΔH_f, kcal/mol:	-359.64
Dipole, Da:	7.71
IP(EA), eV:	-10.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dinitrobenzotriazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCCNC(=O)CCC(=O)O)C(=O)OC

DOS

IR

Vibrations