Geometry & MOs

Info

ID:	67750
PubChem CID:	46507092
Reduced:	FO2S3N4H15C20 (1)
Stoich.:	AB2C3D4E15F20 (1)
Weight, g/mol:	568.316189
ΔH_f, kcal/mol:	-19.53
Dipole, Da:	4.39
IP(EA), eV:	-8.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=CC=C3F)N(C(=S)S2)C4=CC=CC=C4

DOS

IR

Vibrations