Geometry & MOs

Info

ID:	203468
PubChem CID:	79835729
Reduced:	N2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	3.48
Dipole, Da:	2.81
IP(EA), eV:	-9.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-1-[(E)-3-(4-bromophenyl)prop-2-enoyl]piperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCCCC1(C2=CN=CC=C2)N)C

DOS

IR

Vibrations