Geometry & MOs

Info

ID:	164433
PubChem CID:	74399797
Reduced:	OCl2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	400.10911
ΔH_f, kcal/mol:	-15.65
Dipole, Da:	4.24
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethylamino-[2,4-dinitro-5-[[oxido(pyrrolidin-1-yl)azaniumylidene]amino]oxyphenoxy]imino-oxidoazanium

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1CC3CCCN(C3C2)CCN4CCN(CC4)C5=C(C(=CC=C5)Cl)Cl

DOS

IR

Vibrations