Geometry & MOs

Info

ID:	439315
PubChem CID:	135229085
Reduced:	ON5C18H27 (1)
Stoich.:	AB5C18D27 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-0.81
Dipole, Da:	3.84
IP(EA), eV:	-8.66(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-methyl-5-(2-pyridazin-3-ylethyl)pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC[C@@H](CCC)NC1=NC(=NC=C1OCC2=CC=CC=N2)N

DOS

IR

Vibrations