Geometry & MOs

Info

ID:	342463
PubChem CID:	127265618
Reduced:	O2N5H13C16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	265.067369
ΔH_f, kcal/mol:	115.94
Dipole, Da:	10.93
IP(EA), eV:	-9.39(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-5-(2-pyrimidin-4-ylethenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C=CC3=NC=NC=C3

DOS

IR

Vibrations