Geometry & MOs

Info

ID:	439344
PubChem CID:	135229115
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-30.66
Dipole, Da:	2.46
IP(EA), eV:	-8.73(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-5-[(6-prop-1-en-2-ylpyridin-2-yl)methoxy]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC(=NC=C1OCC2=CC(=NN2C)C)N

DOS

IR

Vibrations