Geometry & MOs

Info

ID:	73221
PubChem CID:	48417224
Reduced:	O2N5C14H19 (1)
Stoich.:	A2B5C14D19 (1)
Weight, g/mol:	338.09498
ΔH_f, kcal/mol:	-33.08
Dipole, Da:	3.22
IP(EA), eV:	-9.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-(2-cyclopropyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCC(C1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations