Geometry & MOs

Info

ID:	335822
PubChem CID:	127254684
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	322.179361
ΔH_f, kcal/mol:	-3.53
Dipole, Da:	6.01
IP(EA), eV:	-8.53(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2,5-dimethylpyrrol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CC(OC1)C2=NC(=NN2)NC(=O)CCC3=CNC4=CC=CC=C43

DOS

IR

Vibrations