Geometry & MOs

Info

ID:	147382
PubChem CID:	53787038
Reduced:	O6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	547.194358
ΔH_f, kcal/mol:	-278.71
Dipole, Da:	4.98
IP(EA), eV:	-9.9(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-3-[[4-[3-(2H-tetrazol-5-yl)pyridin-2-yl]phenyl]methyl]-1-[2-(2,2,2-trifluoroacetyl)phenyl]imidazol-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)O)OCCCC1CCOCC1

DOS

IR

Vibrations