Geometry & MOs

Info

ID:	342065
PubChem CID:	127264778
Reduced:	OSN4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	278.116761
ΔH_f, kcal/mol:	65.94
Dipole, Da:	1.75
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]ethenyl]pyrimidine

Drug info:

PubChemData

Smile

CC(=O)N(C1CC1)C2=NC(=CS2)C=CC3=NC=NC=C3

DOS

IR

Vibrations