Geometry & MOs

Info

ID:	419910
PubChem CID:	135109696
Reduced:	SN2O5C20H28 (1)
Stoich.:	AB2C5D20E28 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	-197.33
Dipole, Da:	9.16
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-1H-benzimidazol-2-yl)-1-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N3CCC[C@@]4(C3)CCC[C@H]4OC

DOS

IR

Vibrations