Geometry & MOs

Info

ID:	438189
PubChem CID:	135227879
Reduced:	FN6H21C24 (1)
Stoich.:	AB6C21D24 (1)
Weight, g/mol:	388.201159
ΔH_f, kcal/mol:	108.48
Dipole, Da:	7.47
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(pyridin-2-yl)methyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC3=C(C=C2)N=C(N3C(C4=CC=CC=C4)C5=C(C=NC=C5)F)C

DOS

IR

Vibrations