Geometry & MOs

Info

ID:	84899
PubChem CID:	49870600
Reduced:	ClON3H20C21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	271.148476
ΔH_f, kcal/mol:	26.43
Dipole, Da:	3.18
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NC=C2)NC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations