Geometry & MOs

Info

ID:	148397
PubChem CID:	53788059
Reduced:	O5C19H22 (1)
Stoich.:	A5B19C22 (1)
Weight, g/mol:	402.267114
ΔH_f, kcal/mol:	-159.32
Dipole, Da:	1.76
IP(EA), eV:	-8.6(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[4-(2-methylbutoxy)phenyl]methyl]phenyl]-5-pentylpyrimidine

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=CC=C1OCC2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations