Geometry & MOs

Info

ID:	158749
PubChem CID:	56468313
Reduced:	FN3O4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	417.171336
ΔH_f, kcal/mol:	-146.76
Dipole, Da:	3.89
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)NC1=CC(=CC=C1)OC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations