Geometry & MOs

Info

ID:	445187
PubChem CID:	135264796
Reduced:	OSH26C32 (1)
Stoich.:	ABC26D32 (1)
Weight, g/mol:	349.153875
ΔH_f, kcal/mol:	84.86
Dipole, Da:	1.23
IP(EA), eV:	-8.33(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-[3-(2-hydroxypyrrolidin-1-yl)phenyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC3C2OC4=CC=CC=C34)C5=CC6C(C=C5)SC7=C6C=C(C=C7)C

DOS

IR

Vibrations