Geometry & MOs

Info

ID:	48882
PubChem CID:	11528434
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	175.110947
ΔH_f, kcal/mol:	23.41
Dipole, Da:	4.03
IP(EA), eV:	-8.96(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CN=CN2

DOS

IR

Vibrations