Geometry & MOs

Info

ID:	407853
PubChem CID:	135080608
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	216.162649
ΔH_f, kcal/mol:	-3.32
Dipole, Da:	4.83
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyl-5-methyl-1H-pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N1CC#N)C=NC=C2

DOS

IR

Vibrations