Geometry & MOs

Info

ID:	418625
PubChem CID:	135106430
Reduced:	N3O6C21H31 (1)
Stoich.:	A3B6C21D31 (1)
Weight, g/mol:	382.186572
ΔH_f, kcal/mol:	-274.92
Dipole, Da:	3.86
IP(EA), eV:	-9.37(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-[3-(tetrazol-1-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CCOCC(=O)N[C@]1(CC2(CCN(CC2)C(=O)C3=CC(=O)NC(=C3)C)OC[C@@H]1O)C

DOS

IR

Vibrations