Geometry & MOs

Info

ID:	34109
PubChem CID:	7889851
Reduced:	NO7H13C16 (1)
Stoich.:	AB7C13D16 (1)
Weight, g/mol:	394.091334
ΔH_f, kcal/mol:	-131.8
Dipole, Da:	6.99
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 2-(2-nitrophenoxy)acetate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations