Geometry & MOs

Info

ID:	243867
PubChem CID:	99289500
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	6.02
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@@H]1CC2=CC=CC=C2OC)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations