Geometry & MOs

Info

ID:	427440
PubChem CID:	135158962
Reduced:	FNSO4C8H14 (1)
Stoich.:	ABCD4E8F14 (1)
Weight, g/mol:	429.252861
ΔH_f, kcal/mol:	-229.29
Dipole, Da:	6.06
IP(EA), eV:	-9.03(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-heptan-2-ylphenyl)-1-methyl-5-(3,5,6,7-tetrahydro-1H-pyrrolo[3,4-f]benzimidazol-2-ylidene)pyrazol-4-one

Drug info:

PubChemData

Smile

C(CCC(=O)O)CC(C(C(=O)O)N)SF

DOS

IR

Vibrations