Geometry & MOs

Info

ID:	447317
PubChem CID:	135281981
Reduced:	ClO3N4C18H23 (1)
Stoich.:	AB3C4D18E23 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-89.42
Dipole, Da:	8.98
IP(EA), eV:	-9.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[(2S)-2-amino-2,4-dimethylpentoxy]-6-methylpyridin-2-yl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C2=NC(=NC=C2)Cl)OCC(C)(CC(C)C)NC(=O)O

DOS

IR

Vibrations