Geometry & MOs

Info

ID:	425884
PubChem CID:	135129251
Reduced:	FO2N8C19H21 (1)
Stoich.:	AB2C8D19E21 (1)
Weight, g/mol:	424.179379
ΔH_f, kcal/mol:	21.51
Dipole, Da:	4.33
IP(EA), eV:	-7.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-(1-methylpiperidin-4-yl)oxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]-1,2-thiazol-5-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2C=CC3=C2C(=NC(=N3)NC4=CN(N=C4)CCF)O[C@H]5CCOC5

DOS

IR

Vibrations