Geometry & MOs

Info

ID:	277002
PubChem CID:	103826205
Reduced:	OSN3C13H21 (1)
Stoich.:	ABC3D13E21 (1)
Weight, g/mol:	223.148476
ΔH_f, kcal/mol:	-37.07
Dipole, Da:	4.06
IP(EA), eV:	-9.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-[(1-methylcyclohexyl)methyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)CNC(=O)C2(CCNC2)CC

DOS

IR

Vibrations