Geometry & MOs

Info

ID:	150734
PubChem CID:	53790430
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	541.316524
ΔH_f, kcal/mol:	25.99
Dipole, Da:	3.86
IP(EA), eV:	-8.26(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-hexyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]ethyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC=C(C=C1)NCC(=O)NC2CC3=CC=CC=C3NC4=CC=CC=C24

DOS

IR

Vibrations