Geometry & MOs

Info

ID:	216897
PubChem CID:	85086941
Reduced:	Cl2O3H14C15 (1)
Stoich.:	A2B3C14D15 (1)
Weight, g/mol:	313.117489
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	6.35
IP(EA), eV:	-9.43(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-cyano-7-[2-(dimethylamino)ethenyl]pyrazolo[1,5-a]pyrimidin-6-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

C1COC2(O1)C3CC(C(=O)C2CC4=C3C=CC(=C4)Cl)Cl

DOS

IR

Vibrations