Geometry & MOs

Info

ID:	439280
PubChem CID:	135229047
Reduced:	ON3C8H12 (2)
Stoich.:	AB3C8D12 (2)
Weight, g/mol:	318.216809
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	1.36
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-hexan-3-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(C)C(CCO)NC1=NC(=NC=C1OCC2=NC=CN=C2)N

DOS

IR

Vibrations