Geometry & MOs

Info

ID:	190627
PubChem CID:	78033800
Reduced:	OSN5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	333.105959
ΔH_f, kcal/mol:	38.56
Dipole, Da:	7.87
IP(EA), eV:	-9.24(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)C2=CC3=NC(=NC(=O)C3S2)CC(C)(C)N

DOS

IR

Vibrations