Geometry & MOs

Info

ID:	162301
PubChem CID:	57394235
Reduced:	OF2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-69.14
Dipole, Da:	4.21
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-cyclohexyl-4-N-(3-methoxyphenyl)-6-N-(4-methoxyphenyl)pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC(=CC(=N2)NC3=CC=C(C=C3)OC(F)F)NC4=CC=CC=C4

DOS

IR

Vibrations