Geometry & MOs

Info

ID:	308795
PubChem CID:	126522714
Reduced:	FSN7H20C25 (1)
Stoich.:	ABC7D20E25 (1)
Weight, g/mol:	312.127406
ΔH_f, kcal/mol:	170.31
Dipole, Da:	6.79
IP(EA), eV:	-8.84(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCNCC1=CC(=CN=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC=C(S6)F)/NN3

DOS

IR

Vibrations