Geometry & MOs

Info

ID:	320452
PubChem CID:	126661155
Reduced:	ClNOC21H24 (1)
Stoich.:	ABCD21E24 (1)
Weight, g/mol:	309.15896
ΔH_f, kcal/mol:	-31.07
Dipole, Da:	5.69
IP(EA), eV:	-9.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[cyclohexyl(nitroso)methyl]pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC=CC=C2)Cl)/C

DOS

IR

Vibrations