Geometry & MOs

Info

ID:	73004
PubChem CID:	48416790
Reduced:	ON3C9H9 (2)
Stoich.:	AB3C9D9 (2)
Weight, g/mol:	342.089895
ΔH_f, kcal/mol:	62.36
Dipole, Da:	4.99
IP(EA), eV:	-9.42(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations