Geometry & MOs

Info

ID:	342466
PubChem CID:	127265621
Reduced:	S2N3H9C13 (1)
Stoich.:	A2B3C9D13 (1)
Weight, g/mol:	261.030504
ΔH_f, kcal/mol:	122.71
Dipole, Da:	2.41
IP(EA), eV:	-9.1(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(5-chloro-2-nitrophenyl)ethenyl]pyrimidine

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=C(S2)C=CC3=NC=NC=C3

DOS

IR

Vibrations