Geometry & MOs

Info

ID:	125803
PubChem CID:	50939155
Reduced:	F3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	335.118238
ΔH_f, kcal/mol:	-386.74
Dipole, Da:	3.8
IP(EA), eV:	-9.16(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(4-fluorophenyl)methanone

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC2=C(C(=CC(=C2)CO)F)CC3=CC=C(C=C3)CC(F)F)CO

DOS

IR

Vibrations