Geometry & MOs

Info

ID:	194047
PubChem CID:	78472751
Reduced:	N2O5H17C18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	262.068862
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	4.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.919839
Charge, e:	-1

Chem-info

IUPAC name:

N-[(2-methoxy-5-nitrophenyl)methylideneamino]-1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC(=O)NN=CC2=CC=CC=C2OCC(=O)[O-]

DOS

IR

Vibrations