Geometry & MOs

Info

ID:	137953
PubChem CID:	52290934
Reduced:	FON7C17H20 (1)
Stoich.:	ABC7D17E20 (1)
Weight, g/mol:	357.171336
ΔH_f, kcal/mol:	39.34
Dipole, Da:	5.45
IP(EA), eV:	-9.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1[C@@H](CC2=CC=C(C=C2)F)C(=O)NCCCN3C=CC=N3

DOS

IR

Vibrations