Geometry & MOs

Info

ID:	439277
PubChem CID:	135229044
Reduced:	ON4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	10.36
Dipole, Da:	5.55
IP(EA), eV:	-8.7(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-methyl-5-(2H-triazol-4-ylmethoxy)pyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCCCCNC1=NC=NC=C1OCC2=CC=CC(=N2)C

DOS

IR

Vibrations