Geometry & MOs

Info

ID:	218623
PubChem CID:	85089712
Reduced:	O8C27H34 (1)
Stoich.:	A8B27C34 (1)
Weight, g/mol:	490.259343
ΔH_f, kcal/mol:	-188.84
Dipole, Da:	4.07
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-phenyl-7-propyl-8-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-[1,2,4]triazolo[1,5-c]pyrimidine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCCC12C=CC(C3C1C(CO3)(C4CC2OC(O4)C5=CC=CC=C5)C(=O)OC)O

DOS

IR

Vibrations