Geometry & MOs

Info

ID:	448340
PubChem CID:	135290237
Reduced:	N2O3H16C20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	38.15
Dipole, Da:	2.45
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-phenylpiperidin-1-yl)prop-2-enal

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C#N)OCC#C

DOS

IR

Vibrations