Geometry & MOs

Info

ID:	84704
PubChem CID:	49869375
Reduced:	ON3C16H19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	345.184112
ΔH_f, kcal/mol:	-2.02
Dipole, Da:	1.85
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-4-(4-phenoxyphenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations