Geometry & MOs

Info

ID:	268156
PubChem CID:	103598136
Reduced:	OCl2N4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	29.84
Dipole, Da:	3.05
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]-3-pyridin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=N2)Cl)Cl)C(=O)C=CC3=CC=CC=N3

DOS

IR

Vibrations