Geometry & MOs

Info

ID:	210636
PubChem CID:	80832666
Reduced:	ON2C4H6 (3)
Stoich.:	AB2C4D6 (3)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-88.02
Dipole, Da:	6.66
IP(EA), eV:	-9.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(6-amino-5-propan-2-ylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=N1)OCC)N2CC(=O)NC(=O)C2

DOS

IR

Vibrations