Geometry & MOs

Info

ID:

80159

PubChem CID:

49833304

Reduced:

N3O5C36H43 (1)

Stoich.:

A3B5C36D43 (1)

Weight, g/mol:

625.293201

ΔHf, kcal/mol:

-152.7

Dipole, Da:

6.93

IP(EA), eV:

 -9.03(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-butyl-5-[[4-[(2-chlorophenyl)-(2H-tetrazol-5-yl)methoxy]-3,5-dipropylphenyl]methyl]-2-methyl-3-pyridin-2-ylpyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C)C2=CC=CC=N2)CC3=CC(=C(C(=C3)CCC)OC(C4=CC=CC=C4OC)C(=O)O)CCC

DOS

IR

Vibrations