Geometry & MOs

Info

ID:	342371
PubChem CID:	127265194
Reduced:	N2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	228.137497
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	4.81
IP(EA), eV:	-8.98(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-(2-methylpropyl)pyrazol-4-yl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

COC(=O)COC1=CC=C(C=C1)C=CC2=NC=NC=C2

DOS

IR

Vibrations