Geometry & MOs

Info

ID:	330134
PubChem CID:	127247121
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	50.66
Dipole, Da:	3.09
IP(EA), eV:	-8.78(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzimidazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CCN3C4=CC=CC=C4C=N3

DOS

IR

Vibrations