Geometry & MOs

Info

ID:	307541
PubChem CID:	125307425
Reduced:	Cl2O2N3H17C20 (1)
Stoich.:	A2B2C3D17E20 (1)
Weight, g/mol:	401.069782
ΔH_f, kcal/mol:	24.78
Dipole, Da:	6.62
IP(EA), eV:	-9.58(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)-5-propyl-3,4-dihydropyrrolo[3,4-c]pyrazol-6-one

Drug info:

PubChemData

Smile

CCCN1[C@H](C2=C(C1=O)N=N[C@@H]2C3=CC=CC=C3O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations