Geometry & MOs

Info

ID:	140900
PubChem CID:	52781233
Reduced:	ClO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	464.197904
ΔH_f, kcal/mol:	-2.81
Dipole, Da:	5.61
IP(EA), eV:	-9.03(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(CCC3)C(=N2)C(=O)NC[C@@H](C4=CC=C(C=C4)Cl)N5CCOCC5

DOS

IR

Vibrations