Geometry & MOs

Info

ID:	48928
PubChem CID:	11528487
Reduced:	N3C11H15 (1)
Stoich.:	A3B11C15 (1)
Weight, g/mol:	189.126598
ΔH_f, kcal/mol:	47.66
Dipole, Da:	3.3
IP(EA), eV:	-8.42(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[(3S)-piperidin-3-yl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1CNC12CCN(C2)C3=CN=CC=C3

DOS

IR

Vibrations