Geometry & MOs

Info

ID:	449660
PubChem CID:	135300394
Reduced:	OSN5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	390.151433
ΔH_f, kcal/mol:	68.07
Dipole, Da:	4.45
IP(EA), eV:	-8.54(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-5-(4-methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCCCSC1=NN2C(=CC(=NC2=C1)C3=CC=C(C=C3)OC)C4=CN=C(N4C)C

DOS

IR

Vibrations