Geometry & MOs

Info

ID:	163103
PubChem CID:	57641322
Reduced:	Cl2N2O3H16C22 (1)
Stoich.:	A2B2C3D16E22 (1)
Weight, g/mol:	379.189592
ΔH_f, kcal/mol:	-60.72
Dipole, Da:	3.02
IP(EA), eV:	-8.89(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[benzyl(methyl)amino]-2,4-dihydroxycyclobutyl]-5-methyl-2-phenyl-1H-pyrazol-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=N1)CN(C2=O)C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC

DOS

IR

Vibrations