Geometry & MOs

Info

ID:	79823
PubChem CID:	49830624
Reduced:	ION5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	29.64
Dipole, Da:	2.66
IP(EA), eV:	-9.12(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-6-pyridin-4-yl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(CCC1N2C3=NC=NC(=C3C(=N2)I)N)O

DOS

IR

Vibrations