Geometry & MOs

Info

ID:	210633
PubChem CID:	80832193
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-39.57
Dipole, Da:	4.25
IP(EA), eV:	-9.06(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2,6-diaminopyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NC2=NC=NC(=C2)NC

DOS

IR

Vibrations