Geometry & MOs

Info

ID:	242902
PubChem CID:	99214039
Reduced:	OSN5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	417.08004
ΔH_f, kcal/mol:	61.86
Dipole, Da:	7.06
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(2-bromophenyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NN=C2N1CCC2)C(=O)[C@H]3CC=CC[C@@H]3C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations