Geometry & MOs

Info

ID:	43746
PubChem CID:	10321730
Reduced:	F3O3H25C27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	454.186572
ΔH_f, kcal/mol:	-214.25
Dipole, Da:	3.58
IP(EA), eV:	-9.48(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-propyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](C2=CC=CC=C21)OC(=O)[C@](C3=CC=CC=C3)(C(F)(F)F)OC)C4=CC=CC=C4

DOS

IR

Vibrations