Geometry & MOs

Info

ID:	150526
PubChem CID:	53790219
Reduced:	O2N3C7H15 (1)
Stoich.:	A2B3C7D15 (1)
Weight, g/mol:	388.088164
ΔH_f, kcal/mol:	-90.57
Dipole, Da:	3.37
IP(EA), eV:	-9.65(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(3-methylphenyl)ethenyl]-5-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC1OCCN)C(=O)N

DOS

IR

Vibrations