Geometry & MOs

Info

ID:	429261
PubChem CID:	135169165
Reduced:	N5O5C29H33 (1)
Stoich.:	A5B5C29D33 (1)
Weight, g/mol:	285.96031
ΔH_f, kcal/mol:	-120.03
Dipole, Da:	9.96
IP(EA), eV:	-9.29(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)OC)C2=NC=CC(=C2)C[C@@H]3[C@H](NC3=O)C(=O)N(C)C4=CC=NC=C4

DOS

IR

Vibrations