Geometry & MOs

Info

ID:	150837
PubChem CID:	53790533
Reduced:	ON2C5H12 (1)
Stoich.:	AB2C5D12 (1)
Weight, g/mol:	451.248444
ΔH_f, kcal/mol:	-48.32
Dipole, Da:	4.44
IP(EA), eV:	-9.23(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[2-but-3-ynyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-2-phenylphenyl]-2H-tetrazole

Drug info:

PubChemData

Smile

CC(CNC=O)NC

DOS

IR

Vibrations