Geometry & MOs

Info

ID:	128818
PubChem CID:	51059546
Reduced:	O4N7C25H29 (1)
Stoich.:	A4B7C25D29 (1)
Weight, g/mol:	310.098524
ΔH_f, kcal/mol:	-60.97
Dipole, Da:	3.11
IP(EA), eV:	-9.15(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[5-(4-chlorophenyl)pyrazolidin-3-ylidene]-5-methylbenzimidazole

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C\2C/C(=N/NC(=O)CC#N)/CC/C2=N\NC(=O)CC#N

DOS

IR

Vibrations