Geometry & MOs

Info

ID:	266623
PubChem CID:	103576098
Reduced:	BrON3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	5.25
IP(EA), eV:	-9.3(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-methylpyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one

Drug info:

PubChemData

Smile

CC1CN(CC1N)C(=O)C2=CC(=CN2)Br

DOS

IR

Vibrations