Geometry & MOs

Info

ID:	336125
PubChem CID:	127255132
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	65.55
Dipole, Da:	7.49
IP(EA), eV:	-8.96(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@@H]3CCCN3C(=O)C4(CCCCC4)N5C=NN=N5

DOS

IR

Vibrations