Geometry & MOs

Info

ID:	193476
PubChem CID:	78399130
Reduced:	N3O5H23C24 (1)
Stoich.:	A3B5C23D24 (1)
Weight, g/mol:	335.090606
ΔH_f, kcal/mol:	-85.7
Dipole, Da:	7.66
IP(EA), eV:	-9.25(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,7a-dihydrobenzimidazol-2-ylidene)-3-cyano-2-oxopropyl] 3-(furan-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C(=C2NC3C=CC=CC3=N2)C#N

DOS

IR

Vibrations