Geometry & MOs

Info

ID:	243026
PubChem CID:	99215160
Reduced:	BrO3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	444.11609
ΔH_f, kcal/mol:	-122.36
Dipole, Da:	2.99
IP(EA), eV:	-8.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylcarbamoylamino)-N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NC[C@@H]2CCN(C2)C3=CC(=CC=C3)Br)CC

DOS

IR

Vibrations