Geometry & MOs

Info

ID:	312775
PubChem CID:	126608520
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	168.049905
ΔH_f, kcal/mol:	-82.78
Dipole, Da:	5.77
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-difluoro-1-methylpyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1C)N)C(=O)C2=CC=C(S2)C

DOS

IR

Vibrations