Geometry & MOs

Info

ID:	226346
PubChem CID:	87350517
Reduced:	ZnP2O8C12H28 (1)
Stoich.:	AB2C8D12E28 (1)
Weight, g/mol:	281.116427
ΔH_f, kcal/mol:	-522.08
Dipole, Da:	2.8
IP(EA), eV:	-9.78(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-1-(1H-2,1-benzoxazol-3-ylidene)-N-[(2-methylphenyl)methyl]-1-nitrosomethanamine

Drug info:

PubChemData

Smile

CC(C)OP(=O)([O-])OC(C)C.CC(C)OP(=O)([O-])OC(C)C.[Zn+2]

DOS

IR

Vibrations