Geometry & MOs

Info

ID:	438307
PubChem CID:	135228040
Reduced:	F2O2N7H17C21 (1)
Stoich.:	A2B2C7D17E21 (1)
Weight, g/mol:	463.193215
ΔH_f, kcal/mol:	42.63
Dipole, Da:	3.32
IP(EA), eV:	-9.36(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis(3-fluoropyridin-2-yl)methyl]-5-(3,5-dimethyltriazol-4-yl)-2-methoxy-2-methyl-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=C(N(N=N1)C)C2=CC(=C(C=C2)[N+](=O)[O-])NC(C3=NC=C(C=C3)F)C4=NC=C(C=C4)F

DOS

IR

Vibrations