Geometry & MOs

Info

ID:	84931
PubChem CID:	49870718
Reduced:	ClO2N5C25H36 (1)
Stoich.:	AB2C5D25E36 (1)
Weight, g/mol:	305.109503
ΔH_f, kcal/mol:	-81.82
Dipole, Da:	5.95
IP(EA), eV:	-8.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-fluorophenyl)-N-cyclohexylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C)C4CCCC4)C)O

DOS

IR

Vibrations