Geometry & MOs

Info

ID:	141256
PubChem CID:	52848044
Reduced:	N4C22H27 (1)
Stoich.:	A4B22C27 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	98.45
Dipole, Da:	5.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.818952
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-5-(5-methylfuran-2-yl)-3-[(1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C2=CC=CC=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations