Geometry & MOs

Info

ID:	218553
PubChem CID:	85089613
Reduced:	O2N5C29H29 (1)
Stoich.:	A2B5C29D29 (1)
Weight, g/mol:	483.274659
ΔH_f, kcal/mol:	26.68
Dipole, Da:	6.0
IP(EA), eV:	-8.51(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-[[3-butyl-5-(2-phenylethoxy)-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]tetrazolidine

Drug info:

PubChemData

Smile

C1CC(N(C1)C(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC(=NC=C4)NC5=CC=CC=C5)CO

DOS

IR

Vibrations