Geometry & MOs

Info

ID:	407592
PubChem CID:	135080341
Reduced:	N3O3C10H11 (1)
Stoich.:	A3B3C10D11 (1)
Weight, g/mol:	238.110613
ΔH_f, kcal/mol:	-32.31
Dipole, Da:	9.19
IP(EA), eV:	-9.12(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(3-methylphenoxy)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

C1=CN(C=C2C1=NC(=C2CCN)C(=O)O)O

DOS

IR

Vibrations