Geometry & MOs

Info

ID:	242903
PubChem CID:	99214052
Reduced:	BrO2N5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	417.08004
ΔH_f, kcal/mol:	-11.23
Dipole, Da:	5.16
IP(EA), eV:	-9.67(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-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(=O)N(C3)C4=CC=CC=C4Br

DOS

IR

Vibrations