Geometry & MOs

Info

ID:	336315
PubChem CID:	127255322
Reduced:	O2F3N5C22H28 (1)
Stoich.:	A2B3C5D22E28 (1)
Weight, g/mol:	336.195011
ΔH_f, kcal/mol:	-189.77
Dipole, Da:	9.99
IP(EA), eV:	-9.84(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O)CN4C=NN=N4

DOS

IR

Vibrations