Geometry & MOs

Info

ID:	272730
PubChem CID:	103753673
Reduced:	BrFNOSH11C14 (1)
Stoich.:	ABCDEF11G14 (1)
Weight, g/mol:	219.173548
ΔH_f, kcal/mol:	-42.01
Dipole, Da:	4.61
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)F)Br

DOS

IR

Vibrations