Geometry & MOs

Info

ID:	348524
PubChem CID:	127273635
Reduced:	O4N5C19H33 (1)
Stoich.:	A4B5C19D33 (1)
Weight, g/mol:	376.110232
ΔH_f, kcal/mol:	-185.02
Dipole, Da:	5.07
IP(EA), eV:	-8.89(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-[4-(1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)N2CCCC(C2)C(=O)N3CCOCC3

DOS

IR

Vibrations