Geometry & MOs

Info

ID:	82118
PubChem CID:	49855639
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	628.22974
ΔH_f, kcal/mol:	-64.53
Dipole, Da:	4.21
IP(EA), eV:	-9.66(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C=C)C(=O)N1CCC2=C(C1)C=CC(=C2)C(=O)NO

DOS

IR

Vibrations