Geometry & MOs

Info

ID:	357414
PubChem CID:	127294047
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	390.18559
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	7.75
IP(EA), eV:	-8.54(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=NC=C5

DOS

IR

Vibrations