Geometry & MOs

Info

ID:	126263
PubChem CID:	50957979
Reduced:	N3O6C17H17 (1)
Stoich.:	A3B6C17D17 (1)
Weight, g/mol:	325.128723
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	8.63
IP(EA), eV:	-8.74(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-[2-(1,3-benzodioxol-5-yl)-5-cyclopropyl-1,2,4-triazol-3-yl]ethyl]tetrazole

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN2C(=CC(=N2)C(=O)O)C1)OC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations