Geometry & MOs

Info

ID:	357490
PubChem CID:	127294123
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	393.196489
ΔH_f, kcal/mol:	-111.99
Dipole, Da:	4.47
IP(EA), eV:	-8.49(-0.2)
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-(1H-imidazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)C3CCN(C3=O)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations