Geometry & MOs

Info

ID:	308532
PubChem CID:	125333419
Reduced:	OC20H26 (1)
Stoich.:	AB20C26 (1)
Weight, g/mol:	264.986588
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	6.14
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-3-nitro-5-(trifluoromethyl)-2H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C[C@]12C=CC(=O)C=C1CC[C@@H]3[C@H]2CCC4=C3CCC4(C)C

DOS

IR

Vibrations