Geometry & MOs

Info

ID:	185290
PubChem CID:	77281773
Reduced:	ClFSN3O3H25C27 (1)
Stoich.:	ABCD3E3F25G27 (1)
Weight, g/mol:	353.153955
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	5.43
IP(EA), eV:	-9.11(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-methyl-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1Cl)C2C3N(C(CS3)C4=CC=CC=C4F)C(=O)N(C2=O)C[C@@H](C5=CC=CC=C5)N

DOS

IR

Vibrations