Geometry & MOs

Info

ID:	193544
PubChem CID:	78405488
Reduced:	N4O4C21H26 (1)
Stoich.:	A4B4C21D26 (1)
Weight, g/mol:	219.056325
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	7.15
IP(EA), eV:	-8.42(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-1,3a,4,5-tetrahydropyrrolo[2,3-c]pyrazole

Drug info:

PubChemData

Smile

CC(=NOCC(=O)C(=C1NC2CCCCC2N1)C#N)C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations