Geometry & MOs

Info

ID:	445013
PubChem CID:	135264269
Reduced:	O2N4H16C21 (1)
Stoich.:	A2B4C16D21 (1)
Weight, g/mol:	301.099731
ΔH_f, kcal/mol:	70.59
Dipole, Da:	3.98
IP(EA), eV:	-9.03(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyl-4,5-dihydro-1,3-thiazol-5-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations