Geometry & MOs

Info

ID:	189936
PubChem CID:	77925677
Reduced:	SN3O4C32H41 (1)
Stoich.:	AB3C4D32E41 (1)
Weight, g/mol:	423.250849
ΔH_f, kcal/mol:	-124.31
Dipole, Da:	9.38
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[3-cyclopropyl-7-[(1-methoxypyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1CCC(CC1)C(=O)N2C(OC(=O)C3=C2C=C(S3)C#CC(C)(C)C)CCOC4=NC=CC(=C4)CN5CCCC5

DOS

IR

Vibrations