Geometry & MOs

Info

ID:	190626
PubChem CID:	78033290
Reduced:	ClN2O6C34H39 (1)
Stoich.:	AB2C6D34E39 (1)
Weight, g/mol:	303.115381
ΔH_f, kcal/mol:	-221.19
Dipole, Da:	7.32
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-2-methylpropyl)-6-(5-methyl-1H-pyrazol-4-yl)-4aH-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C5CCN(CC5)C(=O)CO)O)OC

DOS

IR

Vibrations