Geometry & MOs

Info

ID:	126319
PubChem CID:	50959253
Reduced:	OSN7C10H13 (1)
Stoich.:	ABC7D10E13 (1)
Weight, g/mol:	360.206245
ΔH_f, kcal/mol:	75.3
Dipole, Da:	4.58
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN=C(C=N1)NC(=O)CNCCSC2=NNN=C2

DOS

IR

Vibrations