Geometry & MOs

Info

ID:	233114
PubChem CID:	87692425
Reduced:	O2N4H24C25 (1)
Stoich.:	A2B4C24D25 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	41.89
Dipole, Da:	6.46
IP(EA), eV:	-8.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-piperazin-1-ylphenoxy)-1-phenylbenzimidazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1CNCCN1C2=CC=CC=C2OC3=C(C=CC4=C3N=CN4C5=CC=CC=C5)C=O

DOS

IR

Vibrations