Geometry & MOs

Info

ID:	151435
PubChem CID:	53801272
Reduced:	ClN3O3C22H34 (1)
Stoich.:	AB3C3D22E34 (1)
Weight, g/mol:	459.238273
ΔH_f, kcal/mol:	-107.24
Dipole, Da:	1.87
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-4-[2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]heptanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CCOC1(C(C=NN(C1=O)C(C)(C)C)OC(C)C2=CC=CC=C2)Cl

DOS

IR

Vibrations