Geometry & MOs

Info

ID:	243027
PubChem CID:	99215162
Reduced:	BrO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	444.11609
ΔH_f, kcal/mol:	-47.04
Dipole, Da:	5.27
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1CNC(=O)CNC(=O)NCC2=CC=CC=C2)C3=CC(=CC=C3)Br

DOS

IR

Vibrations