Geometry & MOs

Info

ID:	405188
PubChem CID:	135072926
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	240.126263
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	5.94
IP(EA), eV:	-9.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-4-methyl-1-phenyl-2,3-dihydropyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C2[C@]1(CCN(C2)S(=O)(=O)C3=CC=C(C=C3)C)OC

DOS

IR

Vibrations