Geometry & MOs

Info

ID:	181423
PubChem CID:	76745741
Reduced:	ON4C16H16 (1)
Stoich.:	AB4C16D16 (1)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	137.37
Dipole, Da:	3.22
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyano-2-isocyanoethenyl)phenyl] 4-[4-(nitrosomethyl)piperazin-1-yl]benzoate

Drug info:

PubChemData

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[C-]#[N+]C(=CC1=CC=C(C=C1)C2CCN(CC2)CN=O)C#N

DOS

IR

Vibrations