Geometry & MOs

Info

ID:	84703
PubChem CID:	49869374
Reduced:	ON4C20H24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	269.152812
ΔH_f, kcal/mol:	18.26
Dipole, Da:	3.79
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclohexylamino)pyrimidin-4-yl]phenol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC(=CC=C3)C(=O)NC4CC4

DOS

IR

Vibrations