Geometry & MOs

Info

ID:	366481
PubChem CID:	127319978
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	385.227789
ΔH_f, kcal/mol:	-9.26
Dipole, Da:	8.24
IP(EA), eV:	-8.65(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C1CCN(CC1)C)C(=O)C2=CNN3C2=NC(=O)C4=CC=CC=C43

DOS

IR

Vibrations