Geometry & MOs

Info

ID:	135951
PubChem CID:	51958184
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	333.165269
ΔH_f, kcal/mol:	-40.44
Dipole, Da:	2.3
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-N-[(2S)-3-methylbutan-2-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)NNC(=O)[C@H]2CCCN(C2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations