Geometry & MOs

Info

ID:	126229
PubChem CID:	50956282
Reduced:	NOC9H12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	367.154544
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(1H-imidazol-5-yl)-4-phenylimidazol-1-yl]methyl]-3-phenyl-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1CNC(=O)CCN1CC2=CC=C(C=C2)C#CC(C)(C)O

DOS

IR

Vibrations