Geometry & MOs

Info

ID:	157284
PubChem CID:	56422501
Reduced:	O4N7C21H27 (1)
Stoich.:	A4B7C21D27 (1)
Weight, g/mol:	418.175339
ΔH_f, kcal/mol:	-102.79
Dipole, Da:	9.09
IP(EA), eV:	-8.91(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 6-pyrrolidin-1-ylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN=C(C=C3)N4CCCC4)CC

DOS

IR

Vibrations