Geometry & MOs

Info

ID:	140681
PubChem CID:	52740636
Reduced:	FN2O3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	383.120068
ΔH_f, kcal/mol:	-92.66
Dipole, Da:	2.68
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC3=CC=CC=C3)F

DOS

IR

Vibrations