Geometry & MOs

Info

ID:	342456
PubChem CID:	127265611
Reduced:	SN2O2C19H26 (1)
Stoich.:	AB2C2D19E26 (1)
Weight, g/mol:	294.067224
ΔH_f, kcal/mol:	-57.69
Dipole, Da:	3.52
IP(EA), eV:	-8.85(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5-(2-pyrimidin-4-ylethenyl)pyrimidine

Drug info:

PubChemData

Smile

C1CSCCC1(C(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)O

DOS

IR

Vibrations