Geometry & MOs

Info

ID:	202716
PubChem CID:	79713845
Reduced:	BrON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	208.193949
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	3.34
IP(EA), eV:	-8.96(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-3-enyl-N-(piperidin-4-ylmethyl)cyclopropanamine

Drug info:

PubChemData

Smile

CCN(C1CCCCC1)C(=O)C2=C(C=C(C=C2)Br)N

DOS

IR

Vibrations