Geometry & MOs

Info

ID:	403922
PubChem CID:	135062536
Reduced:	NC27H43 (1)
Stoich.:	AB27C43 (1)
Weight, g/mol:	409.99275
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	2.56
IP(EA), eV:	-8.17(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-fluorophenyl)methyl]-3-iodopyrrolo[2,3-c]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C2(C1)CC(N([C]2)C3=C(C=CC=C3C(C)C)C(C)C)(C)C)C(C)C

DOS

IR

Vibrations