Geometry & MOs

Info

ID:	84705
PubChem CID:	49869376
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	351.231063
ΔH_f, kcal/mol:	33.63
Dipole, Da:	2.2
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(3-cyclohexyloxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC=CC(=N2)C3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations