Geometry & MOs

Info

ID:	140899
PubChem CID:	52781062
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	464.197904
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	4.45
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CO1)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations