Geometry & MOs

Info

ID:	59825
PubChem CID:	24898724
Reduced:	ClON7C18H22 (1)
Stoich.:	ABC7D18E22 (1)
Weight, g/mol:	382.98586
ΔH_f, kcal/mol:	49.95
Dipole, Da:	7.73
IP(EA), eV:	-9.18(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chlorothiophen-2-yl)-2,5-dimethyl-7-propan-2-ylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCC1=C(C=NN1C2=NC=C(C(=N2)Cl)C)C(=O)NCC3=CN=CN3C

DOS

IR

Vibrations