Geometry & MOs

Info

ID:	281627
PubChem CID:	103914139
Reduced:	BrN2O2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	241.215413
ΔH_f, kcal/mol:	-81.8
Dipole, Da:	4.35
IP(EA), eV:	-9.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butanamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NCC(C1=CC(=CC=C1)Br)O

DOS

IR

Vibrations