Geometry & MOs

Info

ID:	439343
PubChem CID:	135229114
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	21.44
Dipole, Da:	4.0
IP(EA), eV:	-8.76(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-5-[(2,5-dimethylpyrazol-3-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)CCC2=CN=C(N=C2N)N

DOS

IR

Vibrations