Geometry & MOs

Info

ID:	342060
PubChem CID:	127264773
Reduced:	O2N3H11C14 (1)
Stoich.:	A2B3C11D14 (1)
Weight, g/mol:	248.106196
ΔH_f, kcal/mol:	89.85
Dipole, Da:	7.1
IP(EA), eV:	-9.6(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-pyrazol-1-ylphenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=CC=CC2=NC=NC=C2)[N+](=O)[O-]

DOS

IR

Vibrations