Geometry & MOs

Info

ID:	130999
PubChem CID:	51141858
Reduced:	ClF2O3N5H12C16 (1)
Stoich.:	AB2C3D5E12F16 (1)
Weight, g/mol:	312.133474
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	7.02
IP(EA), eV:	-9.44(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyano-1-cyclopropylethyl)-2-[4-(tetrazol-1-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N2C=NN=N2)OCC(=O)NC3=CC(=C(C=C3)OC(F)F)Cl

DOS

IR

Vibrations