Geometry & MOs

Info

ID:	139203
PubChem CID:	52491056
Reduced:	BrON2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	407.269853
ΔH_f, kcal/mol:	-22.08
Dipole, Da:	3.24
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-oxo-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-5-(2,4,6-trimethylphenyl)pentanamide

Drug info:

PubChemData

Smile

CCN1CCC[C@@H](C1)CNC(=O)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations