Geometry & MOs

Info

ID:	304435
PubChem CID:	124594551
Reduced:	ON6C15H20 (1)
Stoich.:	AB6C15D20 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	56.56
Dipole, Da:	9.05
IP(EA), eV:	-9.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-chloro-2-methoxyphenyl)-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CNC[C@@H]1CCCN(C1)C(=O)C2=CC=CC=C2N3C=NN=N3

DOS

IR

Vibrations