Geometry & MOs

Info

ID:	374965
PubChem CID:	131408129
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-69.64
Dipole, Da:	4.6
IP(EA), eV:	-9.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(aminomethyl)piperidin-1-yl]pent-3-en-1-one

Drug info:

PubChemData

Smile

C1C[C@@H](CNC1)C2=CC(=CC(=C2)Br)C(=O)O

DOS

IR

Vibrations