Geometry & MOs

Info

ID:	291500
PubChem CID:	112884756
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	296.200097
ΔH_f, kcal/mol:	8.43
Dipole, Da:	2.63
IP(EA), eV:	-8.73(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=NC=C2)NCC3=CC=CO3

DOS

IR

Vibrations