Geometry & MOs

Info

ID:	342459
PubChem CID:	127265614
Reduced:	SN2O2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	262.121846
ΔH_f, kcal/mol:	5.92
Dipole, Da:	3.92
IP(EA), eV:	-8.21(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1-benzylpyrazol-4-yl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=CC2=NC=NC=C2)SC)OC

DOS

IR

Vibrations