Geometry & MOs

Info

ID:	375223
PubChem CID:	131480950
Reduced:	BrON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	236.108026
ΔH_f, kcal/mol:	26.9
Dipole, Da:	9.24
IP(EA), eV:	-9.63(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-chloro-2-cyclohexylprop-1-enyl]pyrimidine

Drug info:

PubChemData

Smile

CCC1=NC(=O)N=C2C1=CC=CC2Br

DOS

IR

Vibrations