Geometry & MOs

Info

ID:	383496
PubChem CID:	134975247
Reduced:	H20C21 (1)
Stoich.:	A20B21 (1)
Weight, g/mol:	318.99564
ΔH_f, kcal/mol:	104.78
Dipole, Da:	0.48
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2,6-dimethoxypyrimidin-5-yl)benzonitrile

Drug info:

PubChemData

Smile

CCCCC(=C=CC1=CC=CC=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations