Geometry & MOs

Info

ID:	217205
PubChem CID:	85087424
Reduced:	SN2O2C6H7 (2)
Stoich.:	AB2C2D6E7 (2)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-103.46
Dipole, Da:	4.24
IP(EA), eV:	-9.06(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[2-(dimethylamino)ethenyl]-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC(=O)C2=C(C(N=C2N1)SC)C(=O)N

DOS

IR

Vibrations