Geometry & MOs

Info

ID:	330135
PubChem CID:	127247122
Reduced:	ON5C17H19 (1)
Stoich.:	AB5C17D19 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	42.12
Dipole, Da:	5.83
IP(EA), eV:	-9.07(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)CCN3C=NC4=CC=CC=C43

DOS

IR

Vibrations