Geometry & MOs

Info

ID:	187323
PubChem CID:	77558518
Reduced:	FNSiO3C17H26 (1)
Stoich.:	ABCD3E17F26 (1)
Weight, g/mol:	437.228771
ΔH_f, kcal/mol:	-226.48
Dipole, Da:	4.1
IP(EA), eV:	-9.05(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-ethylpyrazolidin-3-yl)-6-methoxy-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(C(=O)O1)CC2=CC(=C(C=C2)O[Si](C)(C)C(C)(C)C)F

DOS

IR

Vibrations