Geometry & MOs

Info

ID:	342462
PubChem CID:	127265617
Reduced:	ON2H12C14 (1)
Stoich.:	AB2C12D14 (1)
Weight, g/mol:	307.106925
ΔH_f, kcal/mol:	40.01
Dipole, Da:	3.26
IP(EA), eV:	-8.7(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-methyl-3-(4-nitrophenyl)pyrazol-4-yl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)C=CC3=NC=NC=C3

DOS

IR

Vibrations