Geometry & MOs

Info

ID:	439362
PubChem CID:	135229135
Reduced:	ON5C17H25 (1)
Stoich.:	AB5C17D25 (1)
Weight, g/mol:	252.158626
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	2.38
IP(EA), eV:	-8.89(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-[(2-amino-5-methoxypyrimidin-4-yl)amino]ethenyl]pentan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCO)NC1=NC(=NC=C1CCC2=CC=NC=C2)N

DOS

IR

Vibrations