Geometry & MOs

Info

ID:	210702
PubChem CID:	80842751
Reduced:	FN4C13H21 (1)
Stoich.:	AB4C13D21 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-26.0
Dipole, Da:	3.13
IP(EA), eV:	-8.5(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-1-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CCCN(CC1)C2=NC(=NC=C2F)NC)C

DOS

IR

Vibrations