Geometry & MOs

Info

ID:	45182
PubChem CID:	10508848
Reduced:	NO2H7C10 (4)
Stoich.:	AB2C7D10 (4)
Weight, g/mol:	253.170785
ΔH_f, kcal/mol:	-196.82
Dipole, Da:	7.81
IP(EA), eV:	-7.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OC1=CC2=C(C=C1)C(=CN2)C3=C(C=CC4=C3NC5=C6C(=C7C8=C(C=C(C=C8)OC(=O)C)NC7=C45)C9=C(N6)C=C(C=C9)OC(=O)C)OC(=O)C

DOS

IR

Vibrations