Geometry & MOs

Info

ID:	243030
PubChem CID:	99215167
Reduced:	BrON6C19H19 (1)
Stoich.:	ABC6D19E19 (1)
Weight, g/mol:	421.13649
ΔH_f, kcal/mol:	78.49
Dipole, Da:	4.4
IP(EA), eV:	-8.57(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-1-butanoylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)C2=C(N=CC=C2)N3C=NC=N3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations