Geometry & MOs

Info

ID:	439365
PubChem CID:	135229138
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	13.79
Dipole, Da:	2.96
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(CO)NC1=NC(=NC=C1CCC2=CC3=CC=CC=C3C=N2)N

DOS

IR

Vibrations